6-(2-acetamidobutanoylamino)-N-(4-aminobutyl)hexanamide;1,1-diphenylethylbenzene;ethane

C38H56N4O3 — CID 143866823

IUPAC6-(2-acetamidobutanoylamino)-N-(4-aminobutyl)hexanamide;1,1-diphenylethylbenzene;ethane
SMILESCC.CC(c1ccccc1)(c1ccccc1)c1ccccc1.CCC(NC(C)=O)C(=O)NCCCCCC(=O)NCCCCN
InChIInChI=1S/C20H18.C16H32N4O3.C2H6/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;1-3-14(20-13(2)21)16(23)19-12-7-4-5-9-15(22)18-11-8-6-10-17;1-2/h2-16H,1H3;14H,3-12,17H2,1-2H3,(H,18,22)(H,19,23)(H,20,21);1-2H3
InChIKeyFXHFHDYNCYVVHY-UHFFFAOYSA-N
MW616.89 g/mol
LogP6.50
Rot. Bonds16

About 6-(2-acetamidobutanoylamino)-N-(4-aminobutyl)hexanamide;1,1-diphenylethylbenzene;ethane

6-(2-acetamidobutanoylamino)-N-(4-aminobutyl)hexanamide;1,1-diphenylethylbenzene;ethane (PubChem CID 143866823) has the molecular formula C38H56N4O3 and a molecular weight of 616.89 g/mol. Its IUPAC name is 6-(2-acetamidobutanoylamino)-N-(4-aminobutyl)hexanamide;1,1-diphenylethylbenzene;ethane.

Molecular Properties

Compound Name6-(2-acetamidobutanoylamino)-N-(4-aminobutyl)hexanamide;1,1-diphenylethylbenzene;ethane
PubChem CID143866823
Molecular FormulaC38H56N4O3
Molecular Weight616.89 g/mol
Exact Mass616.44
IUPAC Name6-(2-acetamidobutanoylamino)-N-(4-aminobutyl)hexanamide;1,1-diphenylethylbenzene;ethane
SMILESCC.CC(c1ccccc1)(c1ccccc1)c1ccccc1.CCC(NC(C)=O)C(=O)NCCCCCC(=O)NCCCCN
InChIInChI=1S/C20H18.C16H32N4O3.C2H6/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;1-3-14(20-13(2)21)16(23)19-12-7-4-5-9-15(22)18-11-8-6-10-17;1-2/h2-16H,1H3;14H,3-12,17H2,1-2H3,(H,18,22)(H,19,23)(H,20,21);1-2H3
InChIKeyFXHFHDYNCYVVHY-UHFFFAOYSA-N
XLogP6.50
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.89
LogP ≤ 56.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-acetamido-N-(4-aminobutyl)-3-phenylpropanamide
CID 156899646
5-amino-N-[5-(propanoylamino)pentyl]pentanamide
CID 170966361
6-(5-aminopentanoylamino)hexanoic acid;ethane
CID 144538701
11-(5-aminopentanoylamino)undecanoic acid;ethane
CID 170598390
6-amino-N-(7-aminoheptyl)hexanamide
CID 56980494
N,N'-bis(12-aminododecyl)octanediamide
CID 58602052
(2S)-2-acetamido-N-hexadecyl-3-phenylpropanamide
CID 101010140
3-(6-acetamidohexanoylamino)-2-methyl-2-phenylpropanoic acid
CID 120700687
N-(4-aminobutyl)tetracosanamide
CID 171117181
5-amino-N-(11-oxododecyl)pentanamide
CID 171093439
N-(6-aminohexyl)dodecanamide
CID 13030555
N-(9-aminononyl)nonanamide
CID 154091260

Frequently Asked Questions

What is the IUPAC name of 6-(2-acetamidobutanoylamino)-N-(4-aminobutyl)hexanamide;1,1-diphenylethylbenzene;ethane?
The IUPAC name of 6-(2-acetamidobutanoylamino)-N-(4-aminobutyl)hexanamide;1,1-diphenylethylbenzene;ethane (CID 143866823) is 6-(2-acetamidobutanoylamino)-N-(4-aminobutyl)hexanamide;1,1-diphenylethylbenzene;ethane.
What is the SMILES notation for 6-(2-acetamidobutanoylamino)-N-(4-aminobutyl)hexanamide;1,1-diphenylethylbenzene;ethane?
The canonical SMILES for 6-(2-acetamidobutanoylamino)-N-(4-aminobutyl)hexanamide;1,1-diphenylethylbenzene;ethane is CC.CC(c1ccccc1)(c1ccccc1)c1ccccc1.CCC(NC(C)=O)C(=O)NCCCCCC(=O)NCCCCN.
What is the InChIKey of 6-(2-acetamidobutanoylamino)-N-(4-aminobutyl)hexanamide;1,1-diphenylethylbenzene;ethane?
The InChIKey is FXHFHDYNCYVVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18.C16H32N4O3.C2H6/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;1-3-14(20-13(2)21)16(23)19-12-7-4-5-9-15(22)18-11-8-6-10-17;1-2/h2-16H,1H3;14H,3-12,17H2,1-2H3,(H,18,22)(H,19,23)(H,20,21);1-2H3.
What are the key properties of 6-(2-acetamidobutanoylamino)-N-(4-aminobutyl)hexanamide;1,1-diphenylethylbenzene;ethane?
6-(2-acetamidobutanoylamino)-N-(4-aminobutyl)hexanamide;1,1-diphenylethylbenzene;ethane has a molecular weight of 616.89 g/mol, XLogP of 6.50, 16 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-acetamidobutanoylamino)-N-(4-aminobutyl)hexanamide;1,1-diphenylethylbenzene;ethane is sourced from PubChem (CID 143866823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).