2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide

C22H27ClN2O — CID 31996292

IUPAC2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN(Cc2ccccc2)[C@@H](C)C2CC2)c(Cl)c1
InChIInChI=1S/C22H27ClN2O/c1-15-11-16(2)22(20(23)12-15)24-21(26)14-25(17(3)19-9-10-19)13-18-7-5-4-6-8-18/h4-8,11-12,17,19H,9-10,13-14H2,1-3H3,(H,24,26)/t17-/m0/s1
InChIKeyYAXRKQRFEBTTGX-KRWDZBQOSA-N
MW370.92 g/mol
LogP5.20
Rot. Bonds7

About 2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide

2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide (PubChem CID 31996292) has the molecular formula C22H27ClN2O and a molecular weight of 370.92 g/mol. Its IUPAC name is 2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide
PubChem CID31996292
Molecular FormulaC22H27ClN2O
Molecular Weight370.92 g/mol
Exact Mass370.18
IUPAC Name2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN(Cc2ccccc2)[C@@H](C)C2CC2)c(Cl)c1
InChIInChI=1S/C22H27ClN2O/c1-15-11-16(2)22(20(23)12-15)24-21(26)14-25(17(3)19-9-10-19)13-18-7-5-4-6-8-18/h4-8,11-12,17,19H,9-10,13-14H2,1-3H3,(H,24,26)/t17-/m0/s1
InChIKeyYAXRKQRFEBTTGX-KRWDZBQOSA-N
XLogP5.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.92
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-N-(2-chloro-4,6-dimethylphenyl)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

N'-benzyl-N-(2-chloro-4,6-dimethylphenyl)-N'-propan-2-yloxamide
CID 108503582
2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-N-(3-fluorophenyl)acetamide
CID 31996146
2-[benzyl(1-cyclopropylethyl)amino]-N-(phenylcarbamoyl)acetamide
CID 55444967
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 116652517
2-[[2-[benzyl(1-cyclopropylethyl)amino]acetyl]amino]-N-(2-bromophenyl)acetamide
CID 46444247
2-[benzyl(1-cyclopropylethyl)amino]-N-[4-(difluoromethoxy)phenyl]acetamide
CID 46402667
N-(5-acetamido-2-methoxyphenyl)-2-[benzyl(1-cyclopropylethyl)amino]acetamide
CID 46402737
N'-benzyl-N'-propan-2-yl-N-(2,4,6-trimethylphenyl)propanediamide
CID 108951691
N-benzyl-2,4-dichloro-N-[(1S)-1-cyclopropylethyl]-5-methylbenzamide
CID 6990705
2-[acetyl(cycloheptyl)amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 113166376
2-(N-acetyl-2-propan-2-ylanilino)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 113169688
N-(2-chloro-4,6-dimethylphenyl)-2-(3-phenylpropylamino)acetamide
CID 109005062

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide?
The IUPAC name of 2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide (CID 31996292) is 2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CN(Cc2ccccc2)[C@@H](C)C2CC2)c(Cl)c1.
What is the InChIKey of 2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide?
The InChIKey is YAXRKQRFEBTTGX-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H27ClN2O/c1-15-11-16(2)22(20(23)12-15)24-21(26)14-25(17(3)19-9-10-19)13-18-7-5-4-6-8-18/h4-8,11-12,17,19H,9-10,13-14H2,1-3H3,(H,24,26)/t17-/m0/s1.
What are the key properties of 2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide?
2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide has a molecular weight of 370.92 g/mol, XLogP of 5.20, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide is sourced from PubChem (CID 31996292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).