N-(2-amino-2-oxoethyl)-3-[[(1R,3S)-3-cyclopropylcyclohexyl]amino]benzamide

C18H25N3O2 — CID 97157129

IUPACN-(2-amino-2-oxoethyl)-3-[[(1R,3S)-3-cyclopropylcyclohexyl]amino]benzamide
SMILESNC(=O)CNC(=O)c1cccc(N[C@@H]2CCC[C@H](C3CC3)C2)c1
InChIInChI=1S/C18H25N3O2/c19-17(22)11-20-18(23)14-4-2-6-16(10-14)21-15-5-1-3-13(9-15)12-7-8-12/h2,4,6,10,12-13,15,21H,1,3,5,7-9,11H2,(H2,19,22)(H,20,23)/t13-,15+/m0/s1
InChIKeyHIFYFKVVFSIZPK-DZGCQCFKSA-N
MW315.42 g/mol
LogP2.28
Rot. Bonds6

About N-(2-amino-2-oxoethyl)-3-[[(1R,3S)-3-cyclopropylcyclohexyl]amino]benzamide

N-(2-amino-2-oxoethyl)-3-[[(1R,3S)-3-cyclopropylcyclohexyl]amino]benzamide (PubChem CID 97157129) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-3-[[(1R,3S)-3-cyclopropylcyclohexyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-3-[[(1R,3S)-3-cyclopropylcyclohexyl]amino]benzamide
PubChem CID97157129
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-(2-amino-2-oxoethyl)-3-[[(1R,3S)-3-cyclopropylcyclohexyl]amino]benzamide
SMILESNC(=O)CNC(=O)c1cccc(N[C@@H]2CCC[C@H](C3CC3)C2)c1
InChIInChI=1S/C18H25N3O2/c19-17(22)11-20-18(23)14-4-2-6-16(10-14)21-15-5-1-3-13(9-15)12-7-8-12/h2,4,6,10,12-13,15,21H,1,3,5,7-9,11H2,(H2,19,22)(H,20,23)/t13-,15+/m0/s1
InChIKeyHIFYFKVVFSIZPK-DZGCQCFKSA-N
XLogP2.28
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(2-amino-2-oxoethyl)-3-[[(1R,3S)-3-cyclopropylcyclohexyl]amino]benzamide with MolForge

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Related Compounds

N-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119284421
N-[3-[(3-cyclopropylcyclohexyl)amino]phenyl]-2-hydroxyacetamide
CID 84593935
3-acetamido-N-(2-amino-2-oxoethyl)benzamide
CID 47116875
N-(2-hydroxyethyl)-3-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]benzamide
CID 99625911
3-[(3-methoxycyclohexyl)amino]-N-propylbenzamide
CID 106871637
2-[2-[(3-cyclopropylcyclohexyl)amino]phenyl]acetamide
CID 64596435
N-(2-amino-2-oxoethyl)-3-(aminosulfanylmethylamino)benzamide
CID 140989186
3-[(1-aminocyclohexanecarbonyl)amino]-N-(2-amino-2-oxoethyl)benzamide
CID 119284430
3-amino-N-(2-amino-2-oxoethyl)benzamide
CID 16775093
N-(2-amino-2-oxoethyl)-3-(125I)iodo(125I)benzamide
CID 89417127
N-cyclopropyl-3-(cyclopropylamino)benzamide
CID 103438850
3-(cycloheptylamino)-N-propan-2-ylbenzamide
CID 43693920

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-3-[[(1R,3S)-3-cyclopropylcyclohexyl]amino]benzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-3-[[(1R,3S)-3-cyclopropylcyclohexyl]amino]benzamide (CID 97157129) is N-(2-amino-2-oxoethyl)-3-[[(1R,3S)-3-cyclopropylcyclohexyl]amino]benzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-3-[[(1R,3S)-3-cyclopropylcyclohexyl]amino]benzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-3-[[(1R,3S)-3-cyclopropylcyclohexyl]amino]benzamide is NC(=O)CNC(=O)c1cccc(N[C@@H]2CCC[C@H](C3CC3)C2)c1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-3-[[(1R,3S)-3-cyclopropylcyclohexyl]amino]benzamide?
The InChIKey is HIFYFKVVFSIZPK-DZGCQCFKSA-N. The full InChI is InChI=1S/C18H25N3O2/c19-17(22)11-20-18(23)14-4-2-6-16(10-14)21-15-5-1-3-13(9-15)12-7-8-12/h2,4,6,10,12-13,15,21H,1,3,5,7-9,11H2,(H2,19,22)(H,20,23)/t13-,15+/m0/s1.
What are the key properties of N-(2-amino-2-oxoethyl)-3-[[(1R,3S)-3-cyclopropylcyclohexyl]amino]benzamide?
N-(2-amino-2-oxoethyl)-3-[[(1R,3S)-3-cyclopropylcyclohexyl]amino]benzamide has a molecular weight of 315.42 g/mol, XLogP of 2.28, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-3-[[(1R,3S)-3-cyclopropylcyclohexyl]amino]benzamide is sourced from PubChem (CID 97157129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).