2-[methyl-[(1R)-1-(1-methylcyclopropyl)ethyl]amino]-N-[(4-methylphenyl)methyl]acetamide

C17H26N2O — CID 95974994

IUPAC2-[methyl-[(1R)-1-(1-methylcyclopropyl)ethyl]amino]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CN(C)[C@H](C)C2(C)CC2)cc1
InChIInChI=1S/C17H26N2O/c1-13-5-7-15(8-6-13)11-18-16(20)12-19(4)14(2)17(3)9-10-17/h5-8,14H,9-12H2,1-4H3,(H,18,20)/t14-/m1/s1
InChIKeyWYKJSJVDKIXQCZ-CQSZACIVSA-N
MW274.41 g/mol
LogP2.73
Rot. Bonds6

About 2-[methyl-[(1R)-1-(1-methylcyclopropyl)ethyl]amino]-N-[(4-methylphenyl)methyl]acetamide

2-[methyl-[(1R)-1-(1-methylcyclopropyl)ethyl]amino]-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 95974994) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-[methyl-[(1R)-1-(1-methylcyclopropyl)ethyl]amino]-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[methyl-[(1R)-1-(1-methylcyclopropyl)ethyl]amino]-N-[(4-methylphenyl)methyl]acetamide
PubChem CID95974994
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-[methyl-[(1R)-1-(1-methylcyclopropyl)ethyl]amino]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CN(C)[C@H](C)C2(C)CC2)cc1
InChIInChI=1S/C17H26N2O/c1-13-5-7-15(8-6-13)11-18-16(20)12-19(4)14(2)17(3)9-10-17/h5-8,14H,9-12H2,1-4H3,(H,18,20)/t14-/m1/s1
InChIKeyWYKJSJVDKIXQCZ-CQSZACIVSA-N
XLogP2.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[methyl-[(1R)-1-(1-methylcyclopropyl)ethyl]amino]-N-[(4-methylphenyl)methyl]acetamide 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

2-[azetidin-3-yl(methyl)amino]-N-[(4-methylphenyl)methyl]acetamide
CID 66185745
3-[methyl-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid
CID 60988089
methyl 2-methyl-3-[methyl-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]propanoate
CID 60966133
2-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid
CID 63064153
N-[(4-methylphenyl)methyl]-3-(propan-2-ylamino)propanamide
CID 60853234
3-[ethyl-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]butanoic acid
CID 62827811
2-[(4-aminocyclohexyl)-methylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 79113304
2-[acetyl-[(4-methylphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]acetamide
CID 113161771
N-methyl-4-[[methyl-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]methyl]benzamide
CID 42540138
N-[(4-methylphenyl)methyl]butanamide
CID 835678
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 62014386
4-amino-N-[(4-methylphenyl)methyl]pentanamide;hydrochloride
CID 120558836

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(1R)-1-(1-methylcyclopropyl)ethyl]amino]-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[methyl-[(1R)-1-(1-methylcyclopropyl)ethyl]amino]-N-[(4-methylphenyl)methyl]acetamide (CID 95974994) is 2-[methyl-[(1R)-1-(1-methylcyclopropyl)ethyl]amino]-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[methyl-[(1R)-1-(1-methylcyclopropyl)ethyl]amino]-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[methyl-[(1R)-1-(1-methylcyclopropyl)ethyl]amino]-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)CN(C)[C@H](C)C2(C)CC2)cc1.
What is the InChIKey of 2-[methyl-[(1R)-1-(1-methylcyclopropyl)ethyl]amino]-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is WYKJSJVDKIXQCZ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13-5-7-15(8-6-13)11-18-16(20)12-19(4)14(2)17(3)9-10-17/h5-8,14H,9-12H2,1-4H3,(H,18,20)/t14-/m1/s1.
What are the key properties of 2-[methyl-[(1R)-1-(1-methylcyclopropyl)ethyl]amino]-N-[(4-methylphenyl)methyl]acetamide?
2-[methyl-[(1R)-1-(1-methylcyclopropyl)ethyl]amino]-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 274.41 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(1R)-1-(1-methylcyclopropyl)ethyl]amino]-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 95974994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).