N-[3-[(3-methoxycyclohexyl)amino]-4-methylphenyl]propanamide

C17H26N2O2 — CID 106871646

IUPACN-[3-[(3-methoxycyclohexyl)amino]-4-methylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(C)c(NC2CCCC(OC)C2)c1
InChIInChI=1S/C17H26N2O2/c1-4-17(20)19-14-9-8-12(2)16(11-14)18-13-6-5-7-15(10-13)21-3/h8-9,11,13,15,18H,4-7,10H2,1-3H3,(H,19,20)
InChIKeyCYSQIHIHSXLJST-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.71
Rot. Bonds5

About N-[3-[(3-methoxycyclohexyl)amino]-4-methylphenyl]propanamide

N-[3-[(3-methoxycyclohexyl)amino]-4-methylphenyl]propanamide (PubChem CID 106871646) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[3-[(3-methoxycyclohexyl)amino]-4-methylphenyl]propanamide.

Molecular Properties

Compound NameN-[3-[(3-methoxycyclohexyl)amino]-4-methylphenyl]propanamide
PubChem CID106871646
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[3-[(3-methoxycyclohexyl)amino]-4-methylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(C)c(NC2CCCC(OC)C2)c1
InChIInChI=1S/C17H26N2O2/c1-4-17(20)19-14-9-8-12(2)16(11-14)18-13-6-5-7-15(10-13)21-3/h8-9,11,13,15,18H,4-7,10H2,1-3H3,(H,19,20)
InChIKeyCYSQIHIHSXLJST-UHFFFAOYSA-N
XLogP3.71
TPSA50.36 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 ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-[(3-methoxycyclohexyl)amino]-4-methylphenyl]propanamide 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

N-[3-[(3-methoxycyclobutyl)amino]-4-methylphenyl]propanamide
CID 104870299
N-[4-methyl-3-(piperidin-4-ylamino)phenyl]propanamide
CID 61016600
2-methoxy-N-[4-[(3-methoxycyclohexyl)amino]phenyl]acetamide
CID 106871777
N-[4-chloro-3-(cyclopentylamino)phenyl]propanamide
CID 43679054
N-(3-methoxycyclohexyl)-2-methyl-5-methylsulfonylaniline
CID 106871684
3-[(3-methoxycyclohexyl)amino]-4-methylbenzenesulfonamide
CID 106871906
N-(3-acetamido-4-methylphenyl)-2-(cyclopentylamino)acetamide
CID 60851393
N-[3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-4-methylphenyl]propanamide
CID 82823652
N-[4-methyl-3-[[(3S,5R)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]propanamide
CID 95789092
N-[4-(cyclohexylamino)phenyl]propanamide
CID 43720651
N-[4-(cyclooctylamino)phenyl]propanamide
CID 43720606
N-cyclohexyl-4-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54846165

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-methoxycyclohexyl)amino]-4-methylphenyl]propanamide?
The IUPAC name of N-[3-[(3-methoxycyclohexyl)amino]-4-methylphenyl]propanamide (CID 106871646) is N-[3-[(3-methoxycyclohexyl)amino]-4-methylphenyl]propanamide.
What is the SMILES notation for N-[3-[(3-methoxycyclohexyl)amino]-4-methylphenyl]propanamide?
The canonical SMILES for N-[3-[(3-methoxycyclohexyl)amino]-4-methylphenyl]propanamide is CCC(=O)Nc1ccc(C)c(NC2CCCC(OC)C2)c1.
What is the InChIKey of N-[3-[(3-methoxycyclohexyl)amino]-4-methylphenyl]propanamide?
The InChIKey is CYSQIHIHSXLJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-17(20)19-14-9-8-12(2)16(11-14)18-13-6-5-7-15(10-13)21-3/h8-9,11,13,15,18H,4-7,10H2,1-3H3,(H,19,20).
What are the key properties of N-[3-[(3-methoxycyclohexyl)amino]-4-methylphenyl]propanamide?
N-[3-[(3-methoxycyclohexyl)amino]-4-methylphenyl]propanamide has a molecular weight of 290.41 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-methoxycyclohexyl)amino]-4-methylphenyl]propanamide is sourced from PubChem (CID 106871646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).