N-(3-amino-3-oxopropyl)-3-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]benzamide

C18H26N4O3 — CID 95291754

IUPACN-(3-amino-3-oxopropyl)-3-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]benzamide
SMILESC[C@H]1CCCC[C@H]1NC(=O)Nc1cccc(C(=O)NCCC(N)=O)c1
InChIInChI=1S/C18H26N4O3/c1-12-5-2-3-8-15(12)22-18(25)21-14-7-4-6-13(11-14)17(24)20-10-9-16(19)23/h4,6-7,11-12,15H,2-3,5,8-10H2,1H3,(H2,19,23)(H,20,24)(H2,21,22,25)/t12-,15+/m0/s1
InChIKeyKDEGWGMVVBOBGY-SWLSCSKDSA-N
MW346.43 g/mol
LogP1.99
Rot. Bonds6

About N-(3-amino-3-oxopropyl)-3-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]benzamide

N-(3-amino-3-oxopropyl)-3-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]benzamide (PubChem CID 95291754) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-3-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]benzamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-3-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]benzamide
PubChem CID95291754
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC NameN-(3-amino-3-oxopropyl)-3-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]benzamide
SMILESC[C@H]1CCCC[C@H]1NC(=O)Nc1cccc(C(=O)NCCC(N)=O)c1
InChIInChI=1S/C18H26N4O3/c1-12-5-2-3-8-15(12)22-18(25)21-14-7-4-6-13(11-14)17(24)20-10-9-16(19)23/h4,6-7,11-12,15H,2-3,5,8-10H2,1H3,(H2,19,23)(H,20,24)(H2,21,22,25)/t12-,15+/m0/s1
InChIKeyKDEGWGMVVBOBGY-SWLSCSKDSA-N
XLogP1.99
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze N-(3-amino-3-oxopropyl)-3-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]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

3-[(2-methylcyclohexyl)carbamoylamino]-N-propylbenzamide
CID 47034013
N-[3-[(3-amino-3-oxopropyl)carbamoyl]phenyl]piperidine-2-carboxamide
CID 119318163
N-[3-[(3-amino-3-oxopropyl)carbamoyl]phenyl]piperidine-2-carboxamide;hydrochloride
CID 119318162
2-methylpropyl N-[3-[(2-methylcyclohexyl)carbamoylamino]phenyl]carbamate
CID 60586572
N,N-diethyl-3-[[(1R,2R)-2-methylcyclohexyl]carbamothioylamino]benzamide
CID 8629370
[2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 3-acetamidobenzoate
CID 8821145
1-[3-(1-aminoethyl)phenyl]-3-(2-methylcyclopentyl)urea
CID 63279777
3-[(2-methylcyclohexyl)amino]benzamide
CID 43202841
N-ethyl-3-[(2-methylcyclopentyl)amino]benzamide
CID 65044409
3-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-(3-amino-3-oxopropyl)benzamide;hydrochloride
CID 119318176
3-(cyclopropylcarbamoylamino)-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 167923901
2-fluoro-5-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]benzamide
CID 94059666

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-3-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]benzamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-3-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]benzamide (CID 95291754) is N-(3-amino-3-oxopropyl)-3-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]benzamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-3-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]benzamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-3-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]benzamide is C[C@H]1CCCC[C@H]1NC(=O)Nc1cccc(C(=O)NCCC(N)=O)c1.
What is the InChIKey of N-(3-amino-3-oxopropyl)-3-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]benzamide?
The InChIKey is KDEGWGMVVBOBGY-SWLSCSKDSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-12-5-2-3-8-15(12)22-18(25)21-14-7-4-6-13(11-14)17(24)20-10-9-16(19)23/h4,6-7,11-12,15H,2-3,5,8-10H2,1H3,(H2,19,23)(H,20,24)(H2,21,22,25)/t12-,15+/m0/s1.
What are the key properties of N-(3-amino-3-oxopropyl)-3-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]benzamide?
N-(3-amino-3-oxopropyl)-3-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]benzamide has a molecular weight of 346.43 g/mol, XLogP of 1.99, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-3-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]benzamide is sourced from PubChem (CID 95291754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).