N-(3-amino-2-methylpropyl)-4-cyclohexylbenzamide

C17H26N2O — CID 119995934

IUPACN-(3-amino-2-methylpropyl)-4-cyclohexylbenzamide
SMILESCC(CN)CNC(=O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C17H26N2O/c1-13(11-18)12-19-17(20)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h7-10,13-14H,2-6,11-12,18H2,1H3,(H,19,20)
InChIKeyGGJJPBUEDHBOLP-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.06
Rot. Bonds5

About N-(3-amino-2-methylpropyl)-4-cyclohexylbenzamide

N-(3-amino-2-methylpropyl)-4-cyclohexylbenzamide (PubChem CID 119995934) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-4-cyclohexylbenzamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-4-cyclohexylbenzamide
PubChem CID119995934
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-(3-amino-2-methylpropyl)-4-cyclohexylbenzamide
SMILESCC(CN)CNC(=O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C17H26N2O/c1-13(11-18)12-19-17(20)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h7-10,13-14H,2-6,11-12,18H2,1H3,(H,19,20)
InChIKeyGGJJPBUEDHBOLP-UHFFFAOYSA-N
XLogP3.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-2-methylpropyl)-4-(cyclohexylmethoxy)benzamide;hydrochloride
CID 119996180
N-(3-amino-2-methylpropyl)-4-methylbenzamide
CID 62668533
N-(2-amino-2-methylpropyl)-4-cyclohexylbenzamide;hydrochloride
CID 119625808
2-[(4-cyclohexylbenzoyl)amino]acetic acid
CID 82485147
N-(3-amino-2-methylpropyl)-4-chlorobenzamide;hydrochloride
CID 119996366
4-cyclohexyl-N'-methylbenzohydrazide
CID 116846851
ethyl 2-[(4-cyclohexylbenzoyl)amino]acetate
CID 60547206
N-(3-amino-2-methylpropyl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide
CID 119997286
4-cyclohexyl-N-[2-(ethylamino)ethyl]benzamide
CID 119504655
methyl 3-[[4-[(4-cyclohexylanilino)methyl]benzoyl]amino]-2-hydroxypropanoate
CID 67483542
methyl 2-[(4-cyclopentylbenzoyl)amino]acetate
CID 110487395
2-[(4-cyclohexylbenzoyl)amino]propanoic acid
CID 110466195

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-4-cyclohexylbenzamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-4-cyclohexylbenzamide (CID 119995934) is N-(3-amino-2-methylpropyl)-4-cyclohexylbenzamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-4-cyclohexylbenzamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-4-cyclohexylbenzamide is CC(CN)CNC(=O)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of N-(3-amino-2-methylpropyl)-4-cyclohexylbenzamide?
The InChIKey is GGJJPBUEDHBOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13(11-18)12-19-17(20)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h7-10,13-14H,2-6,11-12,18H2,1H3,(H,19,20).
What are the key properties of N-(3-amino-2-methylpropyl)-4-cyclohexylbenzamide?
N-(3-amino-2-methylpropyl)-4-cyclohexylbenzamide has a molecular weight of 274.41 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-4-cyclohexylbenzamide is sourced from PubChem (CID 119995934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).