2-[(3-chlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-propylpropanamide

C22H27ClN2O3 — CID 132763717

IUPAC2-[(3-chlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccc(OC)cc1
InChIInChI=1S/C22H27ClN2O3/c1-4-12-24-22(27)16(2)25(15-18-6-5-7-19(23)13-18)21(26)14-17-8-10-20(28-3)11-9-17/h5-11,13,16H,4,12,14-15H2,1-3H3,(H,24,27)
InChIKeyDIASMDKHFSTPOU-UHFFFAOYSA-N
MW402.92 g/mol
LogP3.83
Rot. Bonds9

About 2-[(3-chlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-propylpropanamide

2-[(3-chlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-propylpropanamide (PubChem CID 132763717) has the molecular formula C22H27ClN2O3 and a molecular weight of 402.92 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-propylpropanamide
PubChem CID132763717
Molecular FormulaC22H27ClN2O3
Molecular Weight402.92 g/mol
Exact Mass402.17
IUPAC Name2-[(3-chlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccc(OC)cc1
InChIInChI=1S/C22H27ClN2O3/c1-4-12-24-22(27)16(2)25(15-18-6-5-7-19(23)13-18)21(26)14-17-8-10-20(28-3)11-9-17/h5-11,13,16H,4,12,14-15H2,1-3H3,(H,24,27)
InChIKeyDIASMDKHFSTPOU-UHFFFAOYSA-N
XLogP3.83
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.92
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(3-chlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-(2-methylpropyl)propanamide
CID 100717869
(2R)-2-[[2-(4-methoxyphenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-propylpropanamide
CID 100521771
2-[[2-(4-chlorophenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-propylpropanamide
CID 132661956
(2R)-2-[(3,4-dichlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-propylpropanamide
CID 100508676
(2R)-2-[[2-(3-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-propylbutanamide
CID 100625835
(2S)-N-[(2R)-butan-2-yl]-2-[[2-(3-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 100624357
2-[[2-(2,6-dichlorophenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-propylpropanamide
CID 132671189
(2R)-N-butyl-2-[(3-chlorophenyl)methyl-[2-[(4-methoxyphenyl)methylsulfanyl]acetyl]amino]propanamide
CID 100551402
(2R)-2-[(4-methoxyphenyl)methyl-[2-(4-methylphenyl)acetyl]amino]-N-propylpropanamide
CID 100528406
(2S)-2-[[2-(3,4-dimethylphenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-propylpropanamide
CID 100521090
(2R)-2-[[2-(3-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-cyclohexylpropanamide
CID 100516488
(2S)-2-[[2-(3,5-dimethylphenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-propylpropanamide
CID 100523039

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-propylpropanamide?
The IUPAC name of 2-[(3-chlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-propylpropanamide (CID 132763717) is 2-[(3-chlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-propylpropanamide.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-propylpropanamide?
The canonical SMILES for 2-[(3-chlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-propylpropanamide is CCCNC(=O)C(C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccc(OC)cc1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-propylpropanamide?
The InChIKey is DIASMDKHFSTPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O3/c1-4-12-24-22(27)16(2)25(15-18-6-5-7-19(23)13-18)21(26)14-17-8-10-20(28-3)11-9-17/h5-11,13,16H,4,12,14-15H2,1-3H3,(H,24,27).
What are the key properties of 2-[(3-chlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-propylpropanamide?
2-[(3-chlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-propylpropanamide has a molecular weight of 402.92 g/mol, XLogP of 3.83, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]-N-propylpropanamide is sourced from PubChem (CID 132763717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).