2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]acetamide

C20H25ClN2O — CID 9335310

IUPAC2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]acetamide
SMILESCc1ccc([C@@H](C)NC(=O)CN[C@@H](C)c2ccc(Cl)cc2)cc1C
InChIInChI=1S/C20H25ClN2O/c1-13-5-6-18(11-14(13)2)16(4)23-20(24)12-22-15(3)17-7-9-19(21)10-8-17/h5-11,15-16,22H,12H2,1-4H3,(H,23,24)/t15-,16+/m0/s1
InChIKeyIMZWFWZTFYTCAP-JKSUJKDBSA-N
MW344.89 g/mol
LogP4.48
Rot. Bonds6

About 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]acetamide

2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]acetamide (PubChem CID 9335310) has the molecular formula C20H25ClN2O and a molecular weight of 344.89 g/mol. Its IUPAC name is 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]acetamide
PubChem CID9335310
Molecular FormulaC20H25ClN2O
Molecular Weight344.89 g/mol
Exact Mass344.17
IUPAC Name2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]acetamide
SMILESCc1ccc([C@@H](C)NC(=O)CN[C@@H](C)c2ccc(Cl)cc2)cc1C
InChIInChI=1S/C20H25ClN2O/c1-13-5-6-18(11-14(13)2)16(4)23-20(24)12-22-15(3)17-7-9-19(21)10-8-17/h5-11,15-16,22H,12H2,1-4H3,(H,23,24)/t15-,16+/m0/s1
InChIKeyIMZWFWZTFYTCAP-JKSUJKDBSA-N
XLogP4.48
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.89
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]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-[(1S)-1-(4-chlorophenyl)ethyl]-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]acetamide
CID 9307603
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]acetamide
CID 9307609
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 8636133
N-(4-chlorophenyl)-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 9336008
2-[1-(4-chlorophenyl)ethylamino]-N-methylacetamide
CID 43214679
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(3,4-dimethylphenoxy)acetamide
CID 8751680
4-(4-chlorophenoxy)-N-[1-(3,4-dimethylphenyl)ethyl]butanamide
CID 132652702
N-butan-2-yl-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 81354162
3-chloro-N-[1-(3,4-dimethylphenyl)ethyl]propanamide
CID 17326498
3-(2,4-dichlorophenyl)-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]propanamide
CID 100608718
[2-[[(1R)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 7750488
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(2,5-dichlorophenyl)acetamide
CID 9335626

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]acetamide?
The IUPAC name of 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]acetamide (CID 9335310) is 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]acetamide is Cc1ccc([C@@H](C)NC(=O)CN[C@@H](C)c2ccc(Cl)cc2)cc1C.
What is the InChIKey of 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]acetamide?
The InChIKey is IMZWFWZTFYTCAP-JKSUJKDBSA-N. The full InChI is InChI=1S/C20H25ClN2O/c1-13-5-6-18(11-14(13)2)16(4)23-20(24)12-22-15(3)17-7-9-19(21)10-8-17/h5-11,15-16,22H,12H2,1-4H3,(H,23,24)/t15-,16+/m0/s1.
What are the key properties of 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]acetamide?
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]acetamide has a molecular weight of 344.89 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]acetamide is sourced from PubChem (CID 9335310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).