3-amino-N-[1-(3-methylphenoxy)propan-2-yl]cyclohexane-1-carboxamide

C17H26N2O2 — CID 119742802

IUPAC3-amino-N-[1-(3-methylphenoxy)propan-2-yl]cyclohexane-1-carboxamide
SMILESCc1cccc(OCC(C)NC(=O)C2CCCC(N)C2)c1
InChIInChI=1S/C17H26N2O2/c1-12-5-3-8-16(9-12)21-11-13(2)19-17(20)14-6-4-7-15(18)10-14/h3,5,8-9,13-15H,4,6-7,10-11,18H2,1-2H3,(H,19,20)
InChIKeySCSTZUOGNVOSCW-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.40
Rot. Bonds5

About 3-amino-N-[1-(3-methylphenoxy)propan-2-yl]cyclohexane-1-carboxamide

3-amino-N-[1-(3-methylphenoxy)propan-2-yl]cyclohexane-1-carboxamide (PubChem CID 119742802) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-amino-N-[1-(3-methylphenoxy)propan-2-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-(3-methylphenoxy)propan-2-yl]cyclohexane-1-carboxamide
PubChem CID119742802
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-amino-N-[1-(3-methylphenoxy)propan-2-yl]cyclohexane-1-carboxamide
SMILESCc1cccc(OCC(C)NC(=O)C2CCCC(N)C2)c1
InChIInChI=1S/C17H26N2O2/c1-12-5-3-8-16(9-12)21-11-13(2)19-17(20)14-6-4-7-15(18)10-14/h3,5,8-9,13-15H,4,6-7,10-11,18H2,1-2H3,(H,19,20)
InChIKeySCSTZUOGNVOSCW-UHFFFAOYSA-N
XLogP2.40
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-[1-(3-methylphenoxy)propan-2-yl]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

Related Compounds

3-amino-N-[1-(2,6-dimethylphenoxy)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119745976
3-amino-N-[2-hydroxy-3-(3-methylphenoxy)propyl]cyclohexane-1-carboxamide
CID 119751617
N-[1-(3-methylphenoxy)propan-2-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 119300007
N-[1-(3-methylphenoxy)propan-2-yl]-1,1-dioxothiolane-3-carboxamide
CID 86828412
N-[1-(3-methylphenoxy)propan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119299994
3-amino-N-[1-(2,4-dimethylphenyl)propan-2-yl]cyclohexane-1-carboxamide
CID 119779219
3-amino-N-[1-(2,4-dimethylphenyl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119779218
N-[1-(3-methylphenoxy)propan-2-yl]pyrrolidine-1-carboxamide
CID 60568058
N-[(2R)-1-(3-methylphenoxy)propan-2-yl]pyrrolidine-1-carboxamide
CID 94503636
3-amino-N-(3-ethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119708471
1-amino-N-[1-(3-methylphenoxy)propan-2-yl]cyclopentane-1-carboxamide
CID 119300012
3-amino-N-(4-methoxybutan-2-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119765560

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(3-methylphenoxy)propan-2-yl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[1-(3-methylphenoxy)propan-2-yl]cyclohexane-1-carboxamide (CID 119742802) is 3-amino-N-[1-(3-methylphenoxy)propan-2-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[1-(3-methylphenoxy)propan-2-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[1-(3-methylphenoxy)propan-2-yl]cyclohexane-1-carboxamide is Cc1cccc(OCC(C)NC(=O)C2CCCC(N)C2)c1.
What is the InChIKey of 3-amino-N-[1-(3-methylphenoxy)propan-2-yl]cyclohexane-1-carboxamide?
The InChIKey is SCSTZUOGNVOSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12-5-3-8-16(9-12)21-11-13(2)19-17(20)14-6-4-7-15(18)10-14/h3,5,8-9,13-15H,4,6-7,10-11,18H2,1-2H3,(H,19,20).
What are the key properties of 3-amino-N-[1-(3-methylphenoxy)propan-2-yl]cyclohexane-1-carboxamide?
3-amino-N-[1-(3-methylphenoxy)propan-2-yl]cyclohexane-1-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(3-methylphenoxy)propan-2-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119742802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).