1-amino-N-[2-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide

C14H20N2O2 — CID 43710737

IUPAC1-amino-N-[2-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide
SMILESNC1(C(=O)Nc2ccccc2CO)CCCCC1
InChIInChI=1S/C14H20N2O2/c15-14(8-4-1-5-9-14)13(18)16-12-7-3-2-6-11(12)10-17/h2-3,6-7,17H,1,4-5,8-10,15H2,(H,16,18)
InChIKeyLXXCHVVHKAECHU-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.78
Rot. Bonds3

About 1-amino-N-[2-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide

1-amino-N-[2-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide (PubChem CID 43710737) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-amino-N-[2-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[2-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide
PubChem CID43710737
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-amino-N-[2-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide
SMILESNC1(C(=O)Nc2ccccc2CO)CCCCC1
InChIInChI=1S/C14H20N2O2/c15-14(8-4-1-5-9-14)13(18)16-12-7-3-2-6-11(12)10-17/h2-3,6-7,17H,1,4-5,8-10,15H2,(H,16,18)
InChIKeyLXXCHVVHKAECHU-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

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1-amino-N-[2-methyl-3-(propan-2-ylsulfanylmethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[2-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide (CID 43710737) is 1-amino-N-[2-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[2-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[2-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide is NC1(C(=O)Nc2ccccc2CO)CCCCC1.
What is the InChIKey of 1-amino-N-[2-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide?
The InChIKey is LXXCHVVHKAECHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c15-14(8-4-1-5-9-14)13(18)16-12-7-3-2-6-11(12)10-17/h2-3,6-7,17H,1,4-5,8-10,15H2,(H,16,18).
What are the key properties of 1-amino-N-[2-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide?
1-amino-N-[2-(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-[2-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 43710737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).