1-amino-N-[4-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide

C14H20N2O2 — CID 113397756

IUPAC1-amino-N-[4-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide
SMILESNC1(C(=O)Nc2ccc(CO)cc2)CCCCC1
InChIInChI=1S/C14H20N2O2/c15-14(8-2-1-3-9-14)13(18)16-12-6-4-11(10-17)5-7-12/h4-7,17H,1-3,8-10,15H2,(H,16,18)
InChIKeyJNZIVVKWCVMRHC-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.78
Rot. Bonds3

About 1-amino-N-[4-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide

1-amino-N-[4-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide (PubChem CID 113397756) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-amino-N-[4-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[4-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide
PubChem CID113397756
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-amino-N-[4-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide
SMILESNC1(C(=O)Nc2ccc(CO)cc2)CCCCC1
InChIInChI=1S/C14H20N2O2/c15-14(8-2-1-3-9-14)13(18)16-12-6-4-11(10-17)5-7-12/h4-7,17H,1-3,8-10,15H2,(H,16,18)
InChIKeyJNZIVVKWCVMRHC-UHFFFAOYSA-N
XLogP1.78
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-(4-ethylphenyl)cyclopentane-1-carboxamide
CID 60867224
1-amino-N-(4-propylphenyl)cyclopentane-1-carboxamide
CID 54925144
1-amino-N-[4-(3,3,3-trifluoropropyl)phenyl]cyclopentane-1-carboxamide
CID 119337924
1-amino-N-(4-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119261942
1-amino-N-[4-(2-methylsulfanylethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119315486
1-amino-N-[4-(methanesulfonamidomethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119328489
1-amino-N-pyridin-4-ylcyclohexane-1-carboxamide;dihydrochloride
CID 119827128
1-amino-N-(4-propan-2-ylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119262760
ethyl N-[4-[(1-aminocyclopentanecarbonyl)amino]phenyl]carbamate
CID 60854428
1-amino-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]cyclohexane-1-carboxamide
CID 119901588
N-[(4-acetamidophenyl)methyl]-1-aminocyclohexane-1-carboxamide;hydrochloride
CID 119277261
1-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119279259

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[4-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[4-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide (CID 113397756) is 1-amino-N-[4-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[4-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[4-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide is NC1(C(=O)Nc2ccc(CO)cc2)CCCCC1.
What is the InChIKey of 1-amino-N-[4-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide?
The InChIKey is JNZIVVKWCVMRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c15-14(8-2-1-3-9-14)13(18)16-12-6-4-11(10-17)5-7-12/h4-7,17H,1-3,8-10,15H2,(H,16,18).
What are the key properties of 1-amino-N-[4-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide?
1-amino-N-[4-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.78, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[4-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 113397756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).