1-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclohexane-1-carboxamide

C15H22N2O2 — CID 103796386

IUPAC1-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclohexane-1-carboxamide
SMILESNC1(C(=O)NCc2cccc(CO)c2)CCCCC1
InChIInChI=1S/C15H22N2O2/c16-15(7-2-1-3-8-15)14(19)17-10-12-5-4-6-13(9-12)11-18/h4-6,9,18H,1-3,7-8,10-11,16H2,(H,17,19)
InChIKeyLJITVVXPYZPVQF-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.46
Rot. Bonds4

About 1-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclohexane-1-carboxamide

1-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclohexane-1-carboxamide (PubChem CID 103796386) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclohexane-1-carboxamide
PubChem CID103796386
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclohexane-1-carboxamide
SMILESNC1(C(=O)NCc2cccc(CO)c2)CCCCC1
InChIInChI=1S/C15H22N2O2/c16-15(7-2-1-3-8-15)14(19)17-10-12-5-4-6-13(9-12)11-18/h4-6,9,18H,1-3,7-8,10-11,16H2,(H,17,19)
InChIKeyLJITVVXPYZPVQF-UHFFFAOYSA-N
XLogP1.46
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclobutane-1-carboxamide
CID 107218429
1-amino-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119266145
1-amino-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 60867747
N-[(3-acetamidophenyl)methyl]-1-aminocyclopentane-1-carboxamide;hydrochloride
CID 119280076
1-amino-N-[[3-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]cyclohexane-1-carboxamide
CID 119863121
1-amino-N-[[3-(2-amino-2-oxoethoxy)phenyl]methyl]cyclohexane-1-carboxamide
CID 119302175
1-amino-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]cyclohexane-1-carboxamide
CID 119287309
1-amino-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]cyclopentane-1-carboxamide
CID 119334714
1-amino-N-(1,3-benzodioxol-5-ylmethyl)cyclohexane-1-carboxamide
CID 39058403
N-[[3-(hydroxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide
CID 103822034
1-amino-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119301019
1-amino-N-[(4-chlorophenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119261680

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclohexane-1-carboxamide (CID 103796386) is 1-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclohexane-1-carboxamide is NC1(C(=O)NCc2cccc(CO)c2)CCCCC1.
What is the InChIKey of 1-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclohexane-1-carboxamide?
The InChIKey is LJITVVXPYZPVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c16-15(7-2-1-3-8-15)14(19)17-10-12-5-4-6-13(9-12)11-18/h4-6,9,18H,1-3,7-8,10-11,16H2,(H,17,19).
What are the key properties of 1-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclohexane-1-carboxamide?
1-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclohexane-1-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 1.46, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 103796386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).