(2R)-2-[(3-chlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-N-methylpropanamide

C22H27ClN2O2 — CID 100618757

IUPAC(2R)-2-[(3-chlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-N-methylpropanamide
SMILESCCc1ccc(CCC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)NC)cc1
InChIInChI=1S/C22H27ClN2O2/c1-4-17-8-10-18(11-9-17)12-13-21(26)25(16(2)22(27)24-3)15-19-6-5-7-20(23)14-19/h5-11,14,16H,4,12-13,15H2,1-3H3,(H,24,27)/t16-/m1/s1
InChIKeyACNLMJJWPHIXBP-MRXNPFEDSA-N
MW386.92 g/mol
LogP4.00
Rot. Bonds8

About (2R)-2-[(3-chlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-N-methylpropanamide

(2R)-2-[(3-chlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-N-methylpropanamide (PubChem CID 100618757) has the molecular formula C22H27ClN2O2 and a molecular weight of 386.92 g/mol. Its IUPAC name is (2R)-2-[(3-chlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(3-chlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-N-methylpropanamide
PubChem CID100618757
Molecular FormulaC22H27ClN2O2
Molecular Weight386.92 g/mol
Exact Mass386.18
IUPAC Name(2R)-2-[(3-chlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-N-methylpropanamide
SMILESCCc1ccc(CCC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)NC)cc1
InChIInChI=1S/C22H27ClN2O2/c1-4-17-8-10-18(11-9-17)12-13-21(26)25(16(2)22(27)24-3)15-19-6-5-7-20(23)14-19/h5-11,14,16H,4,12-13,15H2,1-3H3,(H,24,27)/t16-/m1/s1
InChIKeyACNLMJJWPHIXBP-MRXNPFEDSA-N
XLogP4.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.92
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-2-[(3-chlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-N-methylpropanamide 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-[(3-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-methylpropanamide
CID 132761704
(2S)-2-[3-(4-tert-butylphenyl)propanoyl-[(3-chlorophenyl)methyl]amino]-N-methylpropanamide
CID 100615935
(2S)-2-[(3-bromophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-N-methylpropanamide
CID 100643653
2-[3-(4-ethylphenyl)propanoyl-[(4-fluorophenyl)methyl]amino]-N-methylpropanamide
CID 132655600
(2S)-2-[[2-[N-(benzenesulfonyl)-4-ethylanilino]acetyl]-[(3-chlorophenyl)methyl]amino]-N-methylpropanamide
CID 100613964
N-[(3-chlorophenyl)methyl]-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]butanamide
CID 133239326
2-[(2,4-dichlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-methylpropanamide
CID 132659762
N-[(3-chlorophenyl)methyl]-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-4-phenoxybutanamide
CID 100616508
2-[3-(4-tert-butylphenyl)propanoyl-[(3-methylphenyl)methyl]amino]-N-methylpropanamide
CID 132660024
2-[(3,4-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-N-ethylpropanamide
CID 132670472
(2S)-2-[(3,4-dichlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-N-propylpropanamide
CID 100508823
(2R)-2-[(3-bromophenyl)methyl-[2-(3-chlorophenyl)acetyl]amino]-N-methylpropanamide
CID 100645054

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-chlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-N-methylpropanamide?
The IUPAC name of (2R)-2-[(3-chlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-N-methylpropanamide (CID 100618757) is (2R)-2-[(3-chlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-N-methylpropanamide.
What is the SMILES notation for (2R)-2-[(3-chlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-N-methylpropanamide?
The canonical SMILES for (2R)-2-[(3-chlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-N-methylpropanamide is CCc1ccc(CCC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)NC)cc1.
What is the InChIKey of (2R)-2-[(3-chlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-N-methylpropanamide?
The InChIKey is ACNLMJJWPHIXBP-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H27ClN2O2/c1-4-17-8-10-18(11-9-17)12-13-21(26)25(16(2)22(27)24-3)15-19-6-5-7-20(23)14-19/h5-11,14,16H,4,12-13,15H2,1-3H3,(H,24,27)/t16-/m1/s1.
What are the key properties of (2R)-2-[(3-chlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-N-methylpropanamide?
(2R)-2-[(3-chlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-N-methylpropanamide has a molecular weight of 386.92 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-chlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]-N-methylpropanamide is sourced from PubChem (CID 100618757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).