N-[(4-aminocyclohexyl)methyl]-1-phenylcyclopropane-1-carboxamide

C17H24N2O — CID 106124685

IUPACN-[(4-aminocyclohexyl)methyl]-1-phenylcyclopropane-1-carboxamide
SMILESNC1CCC(CNC(=O)C2(c3ccccc3)CC2)CC1
InChIInChI=1S/C17H24N2O/c18-15-8-6-13(7-9-15)12-19-16(20)17(10-11-17)14-4-2-1-3-5-14/h1-5,13,15H,6-12,18H2,(H,19,20)
InChIKeyGDYFXMCQBWLORK-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.35
Rot. Bonds4

About N-[(4-aminocyclohexyl)methyl]-1-phenylcyclopropane-1-carboxamide

N-[(4-aminocyclohexyl)methyl]-1-phenylcyclopropane-1-carboxamide (PubChem CID 106124685) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-[(4-aminocyclohexyl)methyl]-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(4-aminocyclohexyl)methyl]-1-phenylcyclopropane-1-carboxamide
PubChem CID106124685
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-[(4-aminocyclohexyl)methyl]-1-phenylcyclopropane-1-carboxamide
SMILESNC1CCC(CNC(=O)C2(c3ccccc3)CC2)CC1
InChIInChI=1S/C17H24N2O/c18-15-8-6-13(7-9-15)12-19-16(20)17(10-11-17)14-4-2-1-3-5-14/h1-5,13,15H,6-12,18H2,(H,19,20)
InChIKeyGDYFXMCQBWLORK-UHFFFAOYSA-N
XLogP2.35
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-1-phenylcyclobutane-1-carboxamide
CID 34832176
N-(methoxymethyl)-1-phenylcyclopropane-1-carboxamide
CID 50941599
N-[(2-hydroxycyclohexyl)methyl]-1-phenylcyclobutane-1-carboxamide
CID 64929111
N-[(1-methylpyrrolidin-2-yl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 110473133
[2-(cyclohexylmethylamino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 8588218
N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-4-phenyloxane-4-carboxamide
CID 121021220
N-cyclopentyloxy-1-phenylcyclopropane-1-carboxamide
CID 83206224
benzyl N-[(4-aminocyclohexyl)methyl]carbamate
CID 59845659
1-(4-bromophenyl)-N-[(3-hydroxycyclopentyl)methyl]cyclopropane-1-carboxamide
CID 103280163
N-[[1-(furan-3-ylmethyl)pyrrolidin-3-yl]methyl]-1-phenylcyclopropane-1-carboxamide
CID 56704001
1-phenyl-N-[[(3R)-1-propylpyrrolidin-3-yl]methyl]cyclobutane-1-carboxamide
CID 94488648
ethyl 5-[[(1-phenylcyclopropanecarbonyl)amino]methyl]furan-2-carboxylate
CID 71976289

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminocyclohexyl)methyl]-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[(4-aminocyclohexyl)methyl]-1-phenylcyclopropane-1-carboxamide (CID 106124685) is N-[(4-aminocyclohexyl)methyl]-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[(4-aminocyclohexyl)methyl]-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[(4-aminocyclohexyl)methyl]-1-phenylcyclopropane-1-carboxamide is NC1CCC(CNC(=O)C2(c3ccccc3)CC2)CC1.
What is the InChIKey of N-[(4-aminocyclohexyl)methyl]-1-phenylcyclopropane-1-carboxamide?
The InChIKey is GDYFXMCQBWLORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c18-15-8-6-13(7-9-15)12-19-16(20)17(10-11-17)14-4-2-1-3-5-14/h1-5,13,15H,6-12,18H2,(H,19,20).
What are the key properties of N-[(4-aminocyclohexyl)methyl]-1-phenylcyclopropane-1-carboxamide?
N-[(4-aminocyclohexyl)methyl]-1-phenylcyclopropane-1-carboxamide has a molecular weight of 272.39 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminocyclohexyl)methyl]-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 106124685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).