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

C21H26N2O2 — CID 119794511

IUPAC3-amino-N-[4-(phenylmethoxymethyl)phenyl]cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)Nc2ccc(COCc3ccccc3)cc2)C1
InChIInChI=1S/C21H26N2O2/c22-19-8-4-7-18(13-19)21(24)23-20-11-9-17(10-12-20)15-25-14-16-5-2-1-3-6-16/h1-3,5-6,9-12,18-19H,4,7-8,13-15,22H2,(H,23,24)
InChIKeyBCALJIVRWNHPST-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.86
Rot. Bonds6

About 3-amino-N-[4-(phenylmethoxymethyl)phenyl]cyclohexane-1-carboxamide

3-amino-N-[4-(phenylmethoxymethyl)phenyl]cyclohexane-1-carboxamide (PubChem CID 119794511) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-amino-N-[4-(phenylmethoxymethyl)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-(phenylmethoxymethyl)phenyl]cyclohexane-1-carboxamide
PubChem CID119794511
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name3-amino-N-[4-(phenylmethoxymethyl)phenyl]cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)Nc2ccc(COCc3ccccc3)cc2)C1
InChIInChI=1S/C21H26N2O2/c22-19-8-4-7-18(13-19)21(24)23-20-11-9-17(10-12-20)15-25-14-16-5-2-1-3-6-16/h1-3,5-6,9-12,18-19H,4,7-8,13-15,22H2,(H,23,24)
InChIKeyBCALJIVRWNHPST-UHFFFAOYSA-N
XLogP3.86
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-[4-(phenylmethoxymethyl)phenyl]cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(phenylmethoxymethyl)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[4-(phenylmethoxymethyl)phenyl]cyclohexane-1-carboxamide (CID 119794511) is 3-amino-N-[4-(phenylmethoxymethyl)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[4-(phenylmethoxymethyl)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[4-(phenylmethoxymethyl)phenyl]cyclohexane-1-carboxamide is NC1CCCC(C(=O)Nc2ccc(COCc3ccccc3)cc2)C1.
What is the InChIKey of 3-amino-N-[4-(phenylmethoxymethyl)phenyl]cyclohexane-1-carboxamide?
The InChIKey is BCALJIVRWNHPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c22-19-8-4-7-18(13-19)21(24)23-20-11-9-17(10-12-20)15-25-14-16-5-2-1-3-6-16/h1-3,5-6,9-12,18-19H,4,7-8,13-15,22H2,(H,23,24).
What are the key properties of 3-amino-N-[4-(phenylmethoxymethyl)phenyl]cyclohexane-1-carboxamide?
3-amino-N-[4-(phenylmethoxymethyl)phenyl]cyclohexane-1-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(phenylmethoxymethyl)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119794511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).