2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]-N-propylpropanamide

C22H28N2O2 — CID 132653203

IUPAC2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1
InChIInChI=1S/C22H28N2O2/c1-4-14-23-22(26)18(3)24(16-20-12-10-17(2)11-13-20)21(25)15-19-8-6-5-7-9-19/h5-13,18H,4,14-16H2,1-3H3,(H,23,26)
InChIKeyOUOSQSDPPXWBSQ-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.48
Rot. Bonds8

About 2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]-N-propylpropanamide

2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]-N-propylpropanamide (PubChem CID 132653203) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]-N-propylpropanamide
PubChem CID132653203
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1
InChIInChI=1S/C22H28N2O2/c1-4-14-23-22(26)18(3)24(16-20-12-10-17(2)11-13-20)21(25)15-19-8-6-5-7-9-19/h5-13,18H,4,14-16H2,1-3H3,(H,23,26)
InChIKeyOUOSQSDPPXWBSQ-UHFFFAOYSA-N
XLogP3.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[benzyl-(2-phenylacetyl)amino]-N-[(4-methylphenyl)methyl]propanamide
CID 133148959
2-[(4-fluorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]-N-propylpropanamide
CID 132655610
2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-propylpropanamide
CID 132656046
2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-propylpropanamide
CID 132656017
(2S)-2-[benzyl-[2-(4-methylphenyl)acetyl]amino]-N-propylbutanamide
CID 100541940
(2S)-2-[benzyl-[2-(4-methylphenyl)acetyl]amino]-N-propan-2-ylpropanamide
CID 100645911
(2S)-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]-N-propan-2-ylpropanamide
CID 100663135
(2R)-2-[(4-methoxyphenyl)methyl-[2-(4-methylphenyl)acetyl]amino]-N-propylpropanamide
CID 100528406
2-[[2-(4-methylphenyl)acetyl]-[(4-methylphenyl)methyl]amino]-3-phenyl-N-propylpropanamide
CID 132611969
2-[benzyl-(2-phenylacetyl)amino]-N-pentylpropanamide
CID 133148977
(2R)-2-[benzyl-[2-(4-methylphenyl)acetyl]amino]-N-[(2R)-butan-2-yl]propanamide
CID 100521800
(2R)-2-[(2,6-dichlorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]-N-propylpropanamide
CID 100515175

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]-N-propylpropanamide?
The IUPAC name of 2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]-N-propylpropanamide (CID 132653203) is 2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]-N-propylpropanamide.
What is the SMILES notation for 2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]-N-propylpropanamide?
The canonical SMILES for 2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]-N-propylpropanamide is CCCNC(=O)C(C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1.
What is the InChIKey of 2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]-N-propylpropanamide?
The InChIKey is OUOSQSDPPXWBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-4-14-23-22(26)18(3)24(16-20-12-10-17(2)11-13-20)21(25)15-19-8-6-5-7-9-19/h5-13,18H,4,14-16H2,1-3H3,(H,23,26).
What are the key properties of 2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]-N-propylpropanamide?
2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]-N-propylpropanamide has a molecular weight of 352.48 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]-N-propylpropanamide is sourced from PubChem (CID 132653203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).