4-(butylcarbamoylamino)-N-[(6S)-6,10-diamino-5-oxodecyl]benzamide

C22H37N5O3 — CID 70827674

IUPAC4-(butylcarbamoylamino)-N-[(6S)-6,10-diamino-5-oxodecyl]benzamide
SMILESCCCCNC(=O)Nc1ccc(C(=O)NCCCCC(=O)[C@@H](N)CCCCN)cc1
InChIInChI=1S/C22H37N5O3/c1-2-3-15-26-22(30)27-18-12-10-17(11-13-18)21(29)25-16-7-5-9-20(28)19(24)8-4-6-14-23/h10-13,19H,2-9,14-16,23-24H2,1H3,(H,25,29)(H2,26,27,30)/t19-/m0/s1
InChIKeyRBIGOTGCABIHOP-IBGZPJMESA-N
MW419.57 g/mol
LogP2.53
Rot. Bonds15

About 4-(butylcarbamoylamino)-N-[(6S)-6,10-diamino-5-oxodecyl]benzamide

4-(butylcarbamoylamino)-N-[(6S)-6,10-diamino-5-oxodecyl]benzamide (PubChem CID 70827674) has the molecular formula C22H37N5O3 and a molecular weight of 419.57 g/mol. Its IUPAC name is 4-(butylcarbamoylamino)-N-[(6S)-6,10-diamino-5-oxodecyl]benzamide.

Molecular Properties

Compound Name4-(butylcarbamoylamino)-N-[(6S)-6,10-diamino-5-oxodecyl]benzamide
PubChem CID70827674
Molecular FormulaC22H37N5O3
Molecular Weight419.57 g/mol
Exact Mass419.29
IUPAC Name4-(butylcarbamoylamino)-N-[(6S)-6,10-diamino-5-oxodecyl]benzamide
SMILESCCCCNC(=O)Nc1ccc(C(=O)NCCCCC(=O)[C@@H](N)CCCCN)cc1
InChIInChI=1S/C22H37N5O3/c1-2-3-15-26-22(30)27-18-12-10-17(11-13-18)21(29)25-16-7-5-9-20(28)19(24)8-4-6-14-23/h10-13,19H,2-9,14-16,23-24H2,1H3,(H,25,29)(H2,26,27,30)/t19-/m0/s1
InChIKeyRBIGOTGCABIHOP-IBGZPJMESA-N
XLogP2.53
TPSA139.34 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 52.53
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(butylcarbamoylamino)-N-[(6S)-6,10-diamino-5-oxodecyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(butylcarbamoylamino)-N-propan-2-ylbenzamide
CID 17180623
2,6-diamino-N-[5-amino-6-[4-[[2-amino-6-(2,6-diaminohexanoylamino)hexanoyl]amino]anilino]-6-oxohexyl]hexanamide
CID 58984407
N,N'-bis[4-(butylcarbamoyl)phenyl]hexanediamide
CID 17195940
4-(decanoylamino)-N-nonylbenzamide
CID 3464563
N,N'-bis[4-(butylcarbamoyl)phenyl]pentanediamide
CID 17195941
(5S)-5-amino-15-(3-aminopropylamino)-1-(hexylamino)pentadecan-6-one
CID 58260284
1-(4-aminobutyl)-3-(4-methylphenyl)urea;hydrochloride
CID 163284843
(2S)-2,6-diamino-N-hexadecylhexanamide
CID 10595298
1-(4-aminophenyl)-3-butylurea
CID 28785616
4-(butanoylamino)-N-hexylbenzamide
CID 3934901
(2S)-2-amino-6-[[(2S,9S)-2,9,13-triamino-8-oxotridecanoyl]amino]hexanoic acid
CID 58195957
1-N-butyl-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109043732

Frequently Asked Questions

What is the IUPAC name of 4-(butylcarbamoylamino)-N-[(6S)-6,10-diamino-5-oxodecyl]benzamide?
The IUPAC name of 4-(butylcarbamoylamino)-N-[(6S)-6,10-diamino-5-oxodecyl]benzamide (CID 70827674) is 4-(butylcarbamoylamino)-N-[(6S)-6,10-diamino-5-oxodecyl]benzamide.
What is the SMILES notation for 4-(butylcarbamoylamino)-N-[(6S)-6,10-diamino-5-oxodecyl]benzamide?
The canonical SMILES for 4-(butylcarbamoylamino)-N-[(6S)-6,10-diamino-5-oxodecyl]benzamide is CCCCNC(=O)Nc1ccc(C(=O)NCCCCC(=O)[C@@H](N)CCCCN)cc1.
What is the InChIKey of 4-(butylcarbamoylamino)-N-[(6S)-6,10-diamino-5-oxodecyl]benzamide?
The InChIKey is RBIGOTGCABIHOP-IBGZPJMESA-N. The full InChI is InChI=1S/C22H37N5O3/c1-2-3-15-26-22(30)27-18-12-10-17(11-13-18)21(29)25-16-7-5-9-20(28)19(24)8-4-6-14-23/h10-13,19H,2-9,14-16,23-24H2,1H3,(H,25,29)(H2,26,27,30)/t19-/m0/s1.
What are the key properties of 4-(butylcarbamoylamino)-N-[(6S)-6,10-diamino-5-oxodecyl]benzamide?
4-(butylcarbamoylamino)-N-[(6S)-6,10-diamino-5-oxodecyl]benzamide has a molecular weight of 419.57 g/mol, XLogP of 2.53, 15 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butylcarbamoylamino)-N-[(6S)-6,10-diamino-5-oxodecyl]benzamide is sourced from PubChem (CID 70827674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).