N-(4-aminocyclohexyl)-2-[cyclopropanecarbonyl(methyl)amino]benzamide

C18H25N3O2 — CID 119478823

IUPACN-(4-aminocyclohexyl)-2-[cyclopropanecarbonyl(methyl)amino]benzamide
SMILESCN(C(=O)C1CC1)c1ccccc1C(=O)NC1CCC(N)CC1
InChIInChI=1S/C18H25N3O2/c1-21(18(23)12-6-7-12)16-5-3-2-4-15(16)17(22)20-14-10-8-13(19)9-11-14/h2-5,12-14H,6-11,19H2,1H3,(H,20,22)
InChIKeyNIZYZXNDHZESPC-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.06
Rot. Bonds4

About N-(4-aminocyclohexyl)-2-[cyclopropanecarbonyl(methyl)amino]benzamide

N-(4-aminocyclohexyl)-2-[cyclopropanecarbonyl(methyl)amino]benzamide (PubChem CID 119478823) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-[cyclopropanecarbonyl(methyl)amino]benzamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-[cyclopropanecarbonyl(methyl)amino]benzamide
PubChem CID119478823
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-(4-aminocyclohexyl)-2-[cyclopropanecarbonyl(methyl)amino]benzamide
SMILESCN(C(=O)C1CC1)c1ccccc1C(=O)NC1CCC(N)CC1
InChIInChI=1S/C18H25N3O2/c1-21(18(23)12-6-7-12)16-5-3-2-4-15(16)17(22)20-14-10-8-13(19)9-11-14/h2-5,12-14H,6-11,19H2,1H3,(H,20,22)
InChIKeyNIZYZXNDHZESPC-UHFFFAOYSA-N
XLogP2.06
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]piperidine-1-carboxylate
CID 46491359
N-(4-aminocyclohexyl)-2-methylbenzamide
CID 43653114
2-[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]propanoic acid
CID 119224969
N-[2-[[(4-bromobenzoyl)amino]carbamoyl]phenyl]-N-methylcyclopropanecarboxamide
CID 78886695
2-[cyclopropanecarbonyl(methyl)amino]-N-[(8S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]benzamide
CID 95974643
N-(3-acetamido-2-methylphenyl)-2-[cyclopropanecarbonyl(methyl)amino]benzamide
CID 86822897
2-(4-aminopiperidin-1-yl)-N-cyclopropylbenzamide
CID 42656462
N-[(1R)-1-(2-bromophenyl)ethyl]-2-[cyclopropanecarbonyl(methyl)amino]benzamide
CID 51959369
N-methyl-N-(2-methylphenyl)cyclopropanecarboxamide
CID 64593225
2-[cyclopropanecarbonyl(methyl)amino]-N-(2-phenylbutyl)benzamide
CID 46494345
N-(3-amino-4-methoxyphenyl)-2-[cyclopropanecarbonyl(methyl)amino]benzamide;hydrochloride
CID 119420415
2-[cyclopropanecarbonyl(methyl)amino]-N-[4-(2-oxo-1-pyridinyl)butyl]benzamide
CID 86855571

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-[cyclopropanecarbonyl(methyl)amino]benzamide?
The IUPAC name of N-(4-aminocyclohexyl)-2-[cyclopropanecarbonyl(methyl)amino]benzamide (CID 119478823) is N-(4-aminocyclohexyl)-2-[cyclopropanecarbonyl(methyl)amino]benzamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-[cyclopropanecarbonyl(methyl)amino]benzamide?
The canonical SMILES for N-(4-aminocyclohexyl)-2-[cyclopropanecarbonyl(methyl)amino]benzamide is CN(C(=O)C1CC1)c1ccccc1C(=O)NC1CCC(N)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-2-[cyclopropanecarbonyl(methyl)amino]benzamide?
The InChIKey is NIZYZXNDHZESPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-21(18(23)12-6-7-12)16-5-3-2-4-15(16)17(22)20-14-10-8-13(19)9-11-14/h2-5,12-14H,6-11,19H2,1H3,(H,20,22).
What are the key properties of N-(4-aminocyclohexyl)-2-[cyclopropanecarbonyl(methyl)amino]benzamide?
N-(4-aminocyclohexyl)-2-[cyclopropanecarbonyl(methyl)amino]benzamide has a molecular weight of 315.42 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-[cyclopropanecarbonyl(methyl)amino]benzamide is sourced from PubChem (CID 119478823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).