N-[10-[[10-[(10-acetyl-14-amino-8-oxotetradecyl)carbamoyl]-14-amino-8-oxotetradecyl]carbamoyl]-14-amino-8-oxotetradecyl]-2-(4-aminobutyl)-4-oxododecanamide;N-[14-amino-10-[[14-amino-10-[[14-amino-10-(methylcarbamoyl)-8-oxotetradecyl]carbamoyl]-8-oxotetradecyl]carbamoyl]-8-oxotetradecyl]-2-(4-aminobutyl)-4-oxopentadecanamide

C127H241N15O16 — CID 158476052

IUPACN-[10-[[10-[(10-acetyl-14-amino-8-oxotetradecyl)carbamoyl]-14-amino-8-oxotetradecyl]carbamoyl]-14-amino-8-oxotetradecyl]-2-(4-aminobutyl)-4-oxododecanamide;N-[14-amino-10-[[14-amino-10-[[14-amino-10-(methylcarbamoyl)-8-oxotetradecyl]carbamoyl]-8-oxotetradecyl]carbamoyl]-8-oxotetradecyl]-2-(4-aminobutyl)-4-oxopentadecanamide
SMILESCCCCCCCCC(=O)CC(CCCCN)C(=O)NCCCCCCCC(=O)CC(CCCCN)C(=O)NCCCCCCCC(=O)CC(CCCCN)C(=O)NCCCCCCCC(=O)CC(CCCCN)C(C)=O.CCCCCCCCCCCC(=O)CC(CCCCN)C(=O)NCCCCCCCC(=O)CC(CCCCN)C(=O)NCCCCCCCC(=O)CC(CCCCN)C(=O)NCCCCCCCC(=O)CC(CCCCN)C(=O)NC
InChIInChI=1S/C65H124N8O8.C62H117N7O8/c1-3-4-5-6-7-8-9-13-20-40-59(75)51-55(36-25-29-44-67)63(79)71-48-33-18-11-15-22-42-61(77)53-57(38-27-31-46-69)65(81)73-49-34-19-12-16-23-41-60(76)52-56(37-26-30-45-68)64(80)72-47-32-17-10-14-21-39-58(74)50-54(62(78)70-2)35-24-28-43-66;1-3-4-5-6-10-17-37-57(72)48-53(33-22-26-41-64)60(75)68-45-30-15-8-12-19-39-59(74)50-55(35-24-28-43-66)62(77)69-46-31-16-9-13-20-38-58(73)49-54(34-23-27-42-65)61(76)67-44-29-14-7-11-18-36-56(71)47-52(51(2)70)32-21-25-40-63/h54-57H,3-53,66-69H2,1-2H3,(H,70,78)(H,71,79)(H,72,80)(H,73,81);52-55H,3-50,63-66H2,1-2H3,(H,67,76)(H,68,75)(H,69,77)
InChIKeyHGYGEBQJNSRBDL-UHFFFAOYSA-N
MW2234.41 g/mol
LogP21.36
Rot. Bonds121

About N-[10-[[10-[(10-acetyl-14-amino-8-oxotetradecyl)carbamoyl]-14-amino-8-oxotetradecyl]carbamoyl]-14-amino-8-oxotetradecyl]-2-(4-aminobutyl)-4-oxododecanamide;N-[14-amino-10-[[14-amino-10-[[14-amino-10-(methylcarbamoyl)-8-oxotetradecyl]carbamoyl]-8-oxotetradecyl]carbamoyl]-8-oxotetradecyl]-2-(4-aminobutyl)-4-oxopentadecanamide

N-[10-[[10-[(10-acetyl-14-amino-8-oxotetradecyl)carbamoyl]-14-amino-8-oxotetradecyl]carbamoyl]-14-amino-8-oxotetradecyl]-2-(4-aminobutyl)-4-oxododecanamide;N-[14-amino-10-[[14-amino-10-[[14-amino-10-(methylcarbamoyl)-8-oxotetradecyl]carbamoyl]-8-oxotetradecyl]carbamoyl]-8-oxotetradecyl]-2-(4-aminobutyl)-4-oxopentadecanamide (PubChem CID 158476052) has the molecular formula C127H241N15O16 and a molecular weight of 2234.41 g/mol. Its IUPAC name is N-[10-[[10-[(10-acetyl-14-amino-8-oxotetradecyl)carbamoyl]-14-amino-8-oxotetradecyl]carbamoyl]-14-amino-8-oxotetradecyl]-2-(4-aminobutyl)-4-oxododecanamide;N-[14-amino-10-[[14-amino-10-[[14-amino-10-(methylcarbamoyl)-8-oxotetradecyl]carbamoyl]-8-oxotetradecyl]carbamoyl]-8-oxotetradecyl]-2-(4-aminobutyl)-4-oxopentadecanamide.

Molecular Properties

Compound NameN-[10-[[10-[(10-acetyl-14-amino-8-oxotetradecyl)carbamoyl]-14-amino-8-oxotetradecyl]carbamoyl]-14-amino-8-oxotetradecyl]-2-(4-aminobutyl)-4-oxododecanamide;N-[14-amino-10-[[14-amino-10-[[14-amino-10-(methylcarbamoyl)-8-oxotetradecyl]carbamoyl]-8-oxotetradecyl]carbamoyl]-8-oxotetradecyl]-2-(4-aminobutyl)-4-oxopentadecanamide
PubChem CID158476052
Molecular FormulaC127H241N15O16
Molecular Weight2234.41 g/mol
Exact Mass2232.85
IUPAC NameN-[10-[[10-[(10-acetyl-14-amino-8-oxotetradecyl)carbamoyl]-14-amino-8-oxotetradecyl]carbamoyl]-14-amino-8-oxotetradecyl]-2-(4-aminobutyl)-4-oxododecanamide;N-[14-amino-10-[[14-amino-10-[[14-amino-10-(methylcarbamoyl)-8-oxotetradecyl]carbamoyl]-8-oxotetradecyl]carbamoyl]-8-oxotetradecyl]-2-(4-aminobutyl)-4-oxopentadecanamide
SMILESCCCCCCCCC(=O)CC(CCCCN)C(=O)NCCCCCCCC(=O)CC(CCCCN)C(=O)NCCCCCCCC(=O)CC(CCCCN)C(=O)NCCCCCCCC(=O)CC(CCCCN)C(C)=O.CCCCCCCCCCCC(=O)CC(CCCCN)C(=O)NCCCCCCCC(=O)CC(CCCCN)C(=O)NCCCCCCCC(=O)CC(CCCCN)C(=O)NCCCCCCCC(=O)CC(CCCCN)C(=O)NC
InChIInChI=1S/C65H124N8O8.C62H117N7O8/c1-3-4-5-6-7-8-9-13-20-40-59(75)51-55(36-25-29-44-67)63(79)71-48-33-18-11-15-22-42-61(77)53-57(38-27-31-46-69)65(81)73-49-34-19-12-16-23-41-60(76)52-56(37-26-30-45-68)64(80)72-47-32-17-10-14-21-39-58(74)50-54(62(78)70-2)35-24-28-43-66;1-3-4-5-6-10-17-37-57(72)48-53(33-22-26-41-64)60(75)68-45-30-15-8-12-19-39-59(74)50-55(35-24-28-43-66)62(77)69-46-31-16-9-13-20-38-58(73)49-54(34-23-27-42-65)61(76)67-44-29-14-7-11-18-36-56(71)47-52(51(2)70)32-21-25-40-63/h54-57H,3-53,66-69H2,1-2H3,(H,70,78)(H,71,79)(H,72,80)(H,73,81);52-55H,3-50,63-66H2,1-2H3,(H,67,76)(H,68,75)(H,69,77)
InChIKeyHGYGEBQJNSRBDL-UHFFFAOYSA-N
XLogP21.36
TPSA565.49 Ų
H-Bond Donors15
H-Bond Acceptors24
Rotatable Bonds121
Heavy Atoms158
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002234.41
LogP ≤ 521.36
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[10-[[10-[(10-acetyl-14-amino-8-oxotetradecyl)carbamoyl]-14-amino-8-oxotetradecyl]carbamoyl]-14-amino-8-oxotetradecyl]-2-(4-aminobutyl)-4-oxododecanamide;N-[14-amino-10-[[14-amino-10-[[14-amino-10-(methylcarbamoyl)-8-oxotetradecyl]carbamoyl]-8-oxotetradecyl]carbamoyl]-8-oxotetradecyl]-2-(4-aminobutyl)-4-oxopentadecanamide with MolForge

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Related Compounds

3-pentyltridecane-2,5-dione
CID 54152418
9-[[9-amino-3-[5-[[9-amino-3-(5-aminopentyl)-4-oxononanoyl]amino]pentyl]-4-oxononanoyl]amino]-N-[14-amino-8-(4-aminobutyl)-6,9-dioxotetradecyl]-2-(5-aminopentyl)-4-oxononanamide
CID 90336979
(2R)-2-[4-(diaminomethylideneamino)butyl]-N-hexyl-4-oxohenicosanamide
CID 160806867
(2R)-N-dodecyl-2-(2-methylpropyl)-4-oxohenicosanamide
CID 158633377
N-octadecyl-2-octylicosanamide
CID 154636535
N-methyl-2-octadecylbutanediamide
CID 88809525
(2S)-2,6-diamino-N-hexadecylhexanamide
CID 10595298
(2R)-2,6-diamino-N-dodecylhexanamide
CID 10663029
N-[6-amino-1-[6-[[6-amino-2-(dodecanoylamino)hexanoyl]amino]hexylamino]-1-oxohexan-2-yl]dodecanamide
CID 10010617
tert-butyl (20R)-20-acetyl-18-oxopentacosanoate
CID 158151714
N-[6-amino-1-[[8-[[6-amino-1-[[8-[[6-amino-1-[[8-[[6-amino-1-oxo-1-(pentylamino)hexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]dodecanamide
CID 122633004
6-(2-butyloctanoylamino)hexanoic acid
CID 175445274

Frequently Asked Questions

What is the IUPAC name of N-[10-[[10-[(10-acetyl-14-amino-8-oxotetradecyl)carbamoyl]-14-amino-8-oxotetradecyl]carbamoyl]-14-amino-8-oxotetradecyl]-2-(4-aminobutyl)-4-oxododecanamide;N-[14-amino-10-[[14-amino-10-[[14-amino-10-(methylcarbamoyl)-8-oxotetradecyl]carbamoyl]-8-oxotetradecyl]carbamoyl]-8-oxotetradecyl]-2-(4-aminobutyl)-4-oxopentadecanamide?
The IUPAC name of N-[10-[[10-[(10-acetyl-14-amino-8-oxotetradecyl)carbamoyl]-14-amino-8-oxotetradecyl]carbamoyl]-14-amino-8-oxotetradecyl]-2-(4-aminobutyl)-4-oxododecanamide;N-[14-amino-10-[[14-amino-10-[[14-amino-10-(methylcarbamoyl)-8-oxotetradecyl]carbamoyl]-8-oxotetradecyl]carbamoyl]-8-oxotetradecyl]-2-(4-aminobutyl)-4-oxopentadecanamide (CID 158476052) is N-[10-[[10-[(10-acetyl-14-amino-8-oxotetradecyl)carbamoyl]-14-amino-8-oxotetradecyl]carbamoyl]-14-amino-8-oxotetradecyl]-2-(4-aminobutyl)-4-oxododecanamide;N-[14-amino-10-[[14-amino-10-[[14-amino-10-(methylcarbamoyl)-8-oxotetradecyl]carbamoyl]-8-oxotetradecyl]carbamoyl]-8-oxotetradecyl]-2-(4-aminobutyl)-4-oxopentadecanamide.
What is the SMILES notation for N-[10-[[10-[(10-acetyl-14-amino-8-oxotetradecyl)carbamoyl]-14-amino-8-oxotetradecyl]carbamoyl]-14-amino-8-oxotetradecyl]-2-(4-aminobutyl)-4-oxododecanamide;N-[14-amino-10-[[14-amino-10-[[14-amino-10-(methylcarbamoyl)-8-oxotetradecyl]carbamoyl]-8-oxotetradecyl]carbamoyl]-8-oxotetradecyl]-2-(4-aminobutyl)-4-oxopentadecanamide?
The canonical SMILES for N-[10-[[10-[(10-acetyl-14-amino-8-oxotetradecyl)carbamoyl]-14-amino-8-oxotetradecyl]carbamoyl]-14-amino-8-oxotetradecyl]-2-(4-aminobutyl)-4-oxododecanamide;N-[14-amino-10-[[14-amino-10-[[14-amino-10-(methylcarbamoyl)-8-oxotetradecyl]carbamoyl]-8-oxotetradecyl]carbamoyl]-8-oxotetradecyl]-2-(4-aminobutyl)-4-oxopentadecanamide is CCCCCCCCC(=O)CC(CCCCN)C(=O)NCCCCCCCC(=O)CC(CCCCN)C(=O)NCCCCCCCC(=O)CC(CCCCN)C(=O)NCCCCCCCC(=O)CC(CCCCN)C(C)=O.CCCCCCCCCCCC(=O)CC(CCCCN)C(=O)NCCCCCCCC(=O)CC(CCCCN)C(=O)NCCCCCCCC(=O)CC(CCCCN)C(=O)NCCCCCCCC(=O)CC(CCCCN)C(=O)NC.
What is the InChIKey of N-[10-[[10-[(10-acetyl-14-amino-8-oxotetradecyl)carbamoyl]-14-amino-8-oxotetradecyl]carbamoyl]-14-amino-8-oxotetradecyl]-2-(4-aminobutyl)-4-oxododecanamide;N-[14-amino-10-[[14-amino-10-[[14-amino-10-(methylcarbamoyl)-8-oxotetradecyl]carbamoyl]-8-oxotetradecyl]carbamoyl]-8-oxotetradecyl]-2-(4-aminobutyl)-4-oxopentadecanamide?
The InChIKey is HGYGEBQJNSRBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H124N8O8.C62H117N7O8/c1-3-4-5-6-7-8-9-13-20-40-59(75)51-55(36-25-29-44-67)63(79)71-48-33-18-11-15-22-42-61(77)53-57(38-27-31-46-69)65(81)73-49-34-19-12-16-23-41-60(76)52-56(37-26-30-45-68)64(80)72-47-32-17-10-14-21-39-58(74)50-54(62(78)70-2)35-24-28-43-66;1-3-4-5-6-10-17-37-57(72)48-53(33-22-26-41-64)60(75)68-45-30-15-8-12-19-39-59(74)50-55(35-24-28-43-66)62(77)69-46-31-16-9-13-20-38-58(73)49-54(34-23-27-42-65)61(76)67-44-29-14-7-11-18-36-56(71)47-52(51(2)70)32-21-25-40-63/h54-57H,3-53,66-69H2,1-2H3,(H,70,78)(H,71,79)(H,72,80)(H,73,81);52-55H,3-50,63-66H2,1-2H3,(H,67,76)(H,68,75)(H,69,77).
What are the key properties of N-[10-[[10-[(10-acetyl-14-amino-8-oxotetradecyl)carbamoyl]-14-amino-8-oxotetradecyl]carbamoyl]-14-amino-8-oxotetradecyl]-2-(4-aminobutyl)-4-oxododecanamide;N-[14-amino-10-[[14-amino-10-[[14-amino-10-(methylcarbamoyl)-8-oxotetradecyl]carbamoyl]-8-oxotetradecyl]carbamoyl]-8-oxotetradecyl]-2-(4-aminobutyl)-4-oxopentadecanamide?
N-[10-[[10-[(10-acetyl-14-amino-8-oxotetradecyl)carbamoyl]-14-amino-8-oxotetradecyl]carbamoyl]-14-amino-8-oxotetradecyl]-2-(4-aminobutyl)-4-oxododecanamide;N-[14-amino-10-[[14-amino-10-[[14-amino-10-(methylcarbamoyl)-8-oxotetradecyl]carbamoyl]-8-oxotetradecyl]carbamoyl]-8-oxotetradecyl]-2-(4-aminobutyl)-4-oxopentadecanamide has a molecular weight of 2234.41 g/mol, XLogP of 21.36, 121 rotatable bonds, 15 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-[10-[[10-[(10-acetyl-14-amino-8-oxotetradecyl)carbamoyl]-14-amino-8-oxotetradecyl]carbamoyl]-14-amino-8-oxotetradecyl]-2-(4-aminobutyl)-4-oxododecanamide;N-[14-amino-10-[[14-amino-10-[[14-amino-10-(methylcarbamoyl)-8-oxotetradecyl]carbamoyl]-8-oxotetradecyl]carbamoyl]-8-oxotetradecyl]-2-(4-aminobutyl)-4-oxopentadecanamide is sourced from PubChem (CID 158476052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).