N-[(5S)-5-acetamido-6-oxo-6-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[6-oxo-6-(propylamino)hexyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]hexyl]-2-aminobenzamide

C34H54N10O9 — CID 102351922

IUPACN-[(5S)-5-acetamido-6-oxo-6-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[6-oxo-6-(propylamino)hexyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]hexyl]-2-aminobenzamide
SMILESCCCNC(=O)CCCCCNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](CCCCNC(=O)c1ccccc1N)NC(C)=O
InChIInChI=1S/C34H54N10O9/c1-3-15-36-27(46)14-5-4-9-16-37-28(47)18-39-29(48)19-40-30(49)20-41-31(50)21-42-32(51)22-43-34(53)26(44-23(2)45)13-8-10-17-38-33(52)24-11-6-7-12-25(24)35/h6-7,11-12,26H,3-5,8-10,13-22,35H2,1-2H3,(H,36,46)(H,37,47)(H,38,52)(H,39,48)(H,40,49)(H,41,50)(H,42,51)(H,43,53)(H,44,45)/t26-/m0/s1
InChIKeyDAVZOTIHNQFYIF-SANMLTNESA-N
MW746.87 g/mol
LogP-2.54
Rot. Bonds26

About N-[(5S)-5-acetamido-6-oxo-6-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[6-oxo-6-(propylamino)hexyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]hexyl]-2-aminobenzamide

N-[(5S)-5-acetamido-6-oxo-6-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[6-oxo-6-(propylamino)hexyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]hexyl]-2-aminobenzamide (PubChem CID 102351922) has the molecular formula C34H54N10O9 and a molecular weight of 746.87 g/mol. Its IUPAC name is N-[(5S)-5-acetamido-6-oxo-6-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[6-oxo-6-(propylamino)hexyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]hexyl]-2-aminobenzamide.

Molecular Properties

Compound NameN-[(5S)-5-acetamido-6-oxo-6-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[6-oxo-6-(propylamino)hexyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]hexyl]-2-aminobenzamide
PubChem CID102351922
Molecular FormulaC34H54N10O9
Molecular Weight746.87 g/mol
Exact Mass746.41
IUPAC NameN-[(5S)-5-acetamido-6-oxo-6-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[6-oxo-6-(propylamino)hexyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]hexyl]-2-aminobenzamide
SMILESCCCNC(=O)CCCCCNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](CCCCNC(=O)c1ccccc1N)NC(C)=O
InChIInChI=1S/C34H54N10O9/c1-3-15-36-27(46)14-5-4-9-16-37-28(47)18-39-29(48)19-40-30(49)20-41-31(50)21-42-32(51)22-43-34(53)26(44-23(2)45)13-8-10-17-38-33(52)24-11-6-7-12-25(24)35/h6-7,11-12,26H,3-5,8-10,13-22,35H2,1-2H3,(H,36,46)(H,37,47)(H,38,52)(H,39,48)(H,40,49)(H,41,50)(H,42,51)(H,43,53)(H,44,45)/t26-/m0/s1
InChIKeyDAVZOTIHNQFYIF-SANMLTNESA-N
XLogP-2.54
TPSA287.92 Ų
H-Bond Donors10
H-Bond Acceptors10
Rotatable Bonds26
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.87
LogP ≤ 5-2.54
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze N-[(5S)-5-acetamido-6-oxo-6-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[6-oxo-6-(propylamino)hexyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]hexyl]-2-aminobenzamide with MolForge

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Related Compounds

2-amino-N-[3-oxo-3-(propylamino)propyl]benzamide;hydrochloride
CID 119944917
2-amino-N-dodecylbenzamide
CID 54099396
(2S)-2-acetamido-3-(1H-indol-3-yl)-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 35352621
6-(2-acetamidobutanoylamino)-N-(4-aminobutyl)hexanamide;1,1-diphenylethylbenzene;ethane
CID 143866823
N-[6-[2-(butanoylamino)ethylamino]-5-(octanoylamino)-6-oxohexyl]octanamide
CID 129160890
2-amino-N-(4-hydroxypentyl)benzamide
CID 106118828
2-N-[(2S)-6-amino-1-(hexadecylamino)-1-oxohexan-2-yl]-1-N-propan-2-ylbenzene-1,2-dicarboxamide
CID 139804241
[6-(carboxyamino)-1-[6-(dodecanoylamino)hexylamino]-1-oxohexan-2-yl]carbamic acid
CID 174242727
(Z)-N-[2-[[2-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]-7-methyl-8,11-dioxododec-9-enamide
CID 166689374
N-[2-[[2-[[(2S)-1-(ethylamino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]heptanamide
CID 176965756
N,N'-dihexyl-2-[[2-[2-(2-hydroxyethoxy)ethoxy]benzoyl]amino]pentanediamide
CID 177429891
benzyl 4-acetamido-5-(octylamino)-5-oxopentanoate
CID 4685091

Frequently Asked Questions

What is the IUPAC name of N-[(5S)-5-acetamido-6-oxo-6-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[6-oxo-6-(propylamino)hexyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]hexyl]-2-aminobenzamide?
The IUPAC name of N-[(5S)-5-acetamido-6-oxo-6-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[6-oxo-6-(propylamino)hexyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]hexyl]-2-aminobenzamide (CID 102351922) is N-[(5S)-5-acetamido-6-oxo-6-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[6-oxo-6-(propylamino)hexyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]hexyl]-2-aminobenzamide.
What is the SMILES notation for N-[(5S)-5-acetamido-6-oxo-6-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[6-oxo-6-(propylamino)hexyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]hexyl]-2-aminobenzamide?
The canonical SMILES for N-[(5S)-5-acetamido-6-oxo-6-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[6-oxo-6-(propylamino)hexyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]hexyl]-2-aminobenzamide is CCCNC(=O)CCCCCNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](CCCCNC(=O)c1ccccc1N)NC(C)=O.
What is the InChIKey of N-[(5S)-5-acetamido-6-oxo-6-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[6-oxo-6-(propylamino)hexyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]hexyl]-2-aminobenzamide?
The InChIKey is DAVZOTIHNQFYIF-SANMLTNESA-N. The full InChI is InChI=1S/C34H54N10O9/c1-3-15-36-27(46)14-5-4-9-16-37-28(47)18-39-29(48)19-40-30(49)20-41-31(50)21-42-32(51)22-43-34(53)26(44-23(2)45)13-8-10-17-38-33(52)24-11-6-7-12-25(24)35/h6-7,11-12,26H,3-5,8-10,13-22,35H2,1-2H3,(H,36,46)(H,37,47)(H,38,52)(H,39,48)(H,40,49)(H,41,50)(H,42,51)(H,43,53)(H,44,45)/t26-/m0/s1.
What are the key properties of N-[(5S)-5-acetamido-6-oxo-6-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[6-oxo-6-(propylamino)hexyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]hexyl]-2-aminobenzamide?
N-[(5S)-5-acetamido-6-oxo-6-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[6-oxo-6-(propylamino)hexyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]hexyl]-2-aminobenzamide has a molecular weight of 746.87 g/mol, XLogP of -2.54, 26 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S)-5-acetamido-6-oxo-6-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[2-oxo-2-[[6-oxo-6-(propylamino)hexyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]amino]hexyl]-2-aminobenzamide is sourced from PubChem (CID 102351922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).