(2S)-2-[benzyl-[2-(4-methylphenyl)acetyl]amino]-N-propylbutanamide

C23H30N2O2 — CID 100541940

IUPAC(2S)-2-[benzyl-[2-(4-methylphenyl)acetyl]amino]-N-propylbutanamide
SMILESCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)Cc1ccc(C)cc1
InChIInChI=1S/C23H30N2O2/c1-4-15-24-23(27)21(5-2)25(17-20-9-7-6-8-10-20)22(26)16-19-13-11-18(3)12-14-19/h6-14,21H,4-5,15-17H2,1-3H3,(H,24,27)/t21-/m0/s1
InChIKeySUYQZFJGTYWPLK-NRFANRHFSA-N
MW366.51 g/mol
LogP3.87
Rot. Bonds9

About (2S)-2-[benzyl-[2-(4-methylphenyl)acetyl]amino]-N-propylbutanamide

(2S)-2-[benzyl-[2-(4-methylphenyl)acetyl]amino]-N-propylbutanamide (PubChem CID 100541940) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is (2S)-2-[benzyl-[2-(4-methylphenyl)acetyl]amino]-N-propylbutanamide.

Molecular Properties

Compound Name(2S)-2-[benzyl-[2-(4-methylphenyl)acetyl]amino]-N-propylbutanamide
PubChem CID100541940
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name(2S)-2-[benzyl-[2-(4-methylphenyl)acetyl]amino]-N-propylbutanamide
SMILESCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)Cc1ccc(C)cc1
InChIInChI=1S/C23H30N2O2/c1-4-15-24-23(27)21(5-2)25(17-20-9-7-6-8-10-20)22(26)16-19-13-11-18(3)12-14-19/h6-14,21H,4-5,15-17H2,1-3H3,(H,24,27)/t21-/m0/s1
InChIKeySUYQZFJGTYWPLK-NRFANRHFSA-N
XLogP3.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[[2-(4-methylphenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-propylbutanamide
CID 100562451
2-[[2-(4-methylphenyl)acetyl]-[(4-methylphenyl)methyl]amino]-3-phenyl-N-propylpropanamide
CID 132611969
2-[benzyl-[2-(4-methylphenyl)acetyl]amino]-N-(2-methylpropyl)butanamide
CID 132702861
(2S)-2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-propylbutanamide
CID 100571001
2-[[2-(4-fluorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-propylbutanamide
CID 132657951
(2S)-2-[(4-chlorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]-N-propylbutanamide
CID 100576018
2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]-N-propylpropanamide
CID 132653203
N-tert-butyl-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]butanamide
CID 132702936
(2R)-2-[[2-(3,4-dimethylphenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-propylbutanamide
CID 100561703
(2R)-2-[benzyl-[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-N-propylbutanamide
CID 100536730
N-butyl-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]-3-phenylpropanamide
CID 133153411
2-[butanoyl-[(4-methylphenyl)methyl]amino]-N-propylbutanamide
CID 132650769

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[benzyl-[2-(4-methylphenyl)acetyl]amino]-N-propylbutanamide?
The IUPAC name of (2S)-2-[benzyl-[2-(4-methylphenyl)acetyl]amino]-N-propylbutanamide (CID 100541940) is (2S)-2-[benzyl-[2-(4-methylphenyl)acetyl]amino]-N-propylbutanamide.
What is the SMILES notation for (2S)-2-[benzyl-[2-(4-methylphenyl)acetyl]amino]-N-propylbutanamide?
The canonical SMILES for (2S)-2-[benzyl-[2-(4-methylphenyl)acetyl]amino]-N-propylbutanamide is CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)Cc1ccc(C)cc1.
What is the InChIKey of (2S)-2-[benzyl-[2-(4-methylphenyl)acetyl]amino]-N-propylbutanamide?
The InChIKey is SUYQZFJGTYWPLK-NRFANRHFSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-4-15-24-23(27)21(5-2)25(17-20-9-7-6-8-10-20)22(26)16-19-13-11-18(3)12-14-19/h6-14,21H,4-5,15-17H2,1-3H3,(H,24,27)/t21-/m0/s1.
What are the key properties of (2S)-2-[benzyl-[2-(4-methylphenyl)acetyl]amino]-N-propylbutanamide?
(2S)-2-[benzyl-[2-(4-methylphenyl)acetyl]amino]-N-propylbutanamide has a molecular weight of 366.51 g/mol, XLogP of 3.87, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[benzyl-[2-(4-methylphenyl)acetyl]amino]-N-propylbutanamide is sourced from PubChem (CID 100541940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).