2-[benzyl-[2-(3-methylphenyl)acetyl]amino]-N-butan-2-ylpropanamide

C23H30N2O2 — CID 132701697

IUPAC2-[benzyl-[2-(3-methylphenyl)acetyl]amino]-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)Cc1cccc(C)c1
InChIInChI=1S/C23H30N2O2/c1-5-18(3)24-23(27)19(4)25(16-20-11-7-6-8-12-20)22(26)15-21-13-9-10-17(2)14-21/h6-14,18-19H,5,15-16H2,1-4H3,(H,24,27)
InChIKeyDTVDDVQOXHWIEL-UHFFFAOYSA-N
MW366.50 g/mol
LogP3.87
Rot. Bonds8

About 2-[benzyl-[2-(3-methylphenyl)acetyl]amino]-N-butan-2-ylpropanamide

2-[benzyl-[2-(3-methylphenyl)acetyl]amino]-N-butan-2-ylpropanamide (PubChem CID 132701697) has the molecular formula C23H30N2O2 and a molecular weight of 366.50 g/mol. Its IUPAC name is 2-[benzyl-[2-(3-methylphenyl)acetyl]amino]-N-butan-2-ylpropanamide.

Molecular Properties

Compound Name2-[benzyl-[2-(3-methylphenyl)acetyl]amino]-N-butan-2-ylpropanamide
PubChem CID132701697
Molecular FormulaC23H30N2O2
Molecular Weight366.50 g/mol
Exact Mass366.23
IUPAC Name2-[benzyl-[2-(3-methylphenyl)acetyl]amino]-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)Cc1cccc(C)c1
InChIInChI=1S/C23H30N2O2/c1-5-18(3)24-23(27)19(4)25(16-20-11-7-6-8-12-20)22(26)15-21-13-9-10-17(2)14-21/h6-14,18-19H,5,15-16H2,1-4H3,(H,24,27)
InChIKeyDTVDDVQOXHWIEL-UHFFFAOYSA-N
XLogP3.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.50
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[(2S)-butan-2-yl]-2-[(4-chlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]propanamide
CID 100567090
(2R)-N-[(2S)-butan-2-yl]-2-[[2-(3-methylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
CID 100532408
N-butan-2-yl-2-[[2-(3-chlorophenyl)acetyl]-[(3-methylphenyl)methyl]amino]propanamide
CID 132705654
(2R)-2-[benzyl-[2-(4-methylphenyl)acetyl]amino]-N-[(2R)-butan-2-yl]propanamide
CID 100521800
(2R)-N-[(2R)-butan-2-yl]-2-[[2-(4-fluorophenyl)acetyl]-[(3-methylphenyl)methyl]amino]propanamide
CID 100540743
(2R)-N-[(2R)-butan-2-yl]-2-[[2-(4-methoxyphenyl)acetyl]-[(3-methylphenyl)methyl]amino]propanamide
CID 100538978
(2R)-N-[(2R)-butan-2-yl]-2-[[2-(3-methylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]butanamide
CID 100677148
(2S)-N-[(2R)-butan-2-yl]-2-[(3-methylphenyl)methyl-[2-(2-nitrophenyl)acetyl]amino]propanamide
CID 100533386
(2S)-2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-[(2S)-butan-2-yl]propanamide
CID 100520058
(2S)-N-[(2S)-butan-2-yl]-2-[[2-(3,4-dimethylphenyl)acetyl]-[(4-methylphenyl)methyl]amino]propanamide
CID 100546469
(2S)-N-[(2S)-butan-2-yl]-2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]propanamide
CID 100558894
N-butan-2-yl-2-[3-(2-chlorophenyl)propanoyl-[(3-methylphenyl)methyl]amino]propanamide
CID 132708082

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[2-(3-methylphenyl)acetyl]amino]-N-butan-2-ylpropanamide?
The IUPAC name of 2-[benzyl-[2-(3-methylphenyl)acetyl]amino]-N-butan-2-ylpropanamide (CID 132701697) is 2-[benzyl-[2-(3-methylphenyl)acetyl]amino]-N-butan-2-ylpropanamide.
What is the SMILES notation for 2-[benzyl-[2-(3-methylphenyl)acetyl]amino]-N-butan-2-ylpropanamide?
The canonical SMILES for 2-[benzyl-[2-(3-methylphenyl)acetyl]amino]-N-butan-2-ylpropanamide is CCC(C)NC(=O)C(C)N(Cc1ccccc1)C(=O)Cc1cccc(C)c1.
What is the InChIKey of 2-[benzyl-[2-(3-methylphenyl)acetyl]amino]-N-butan-2-ylpropanamide?
The InChIKey is DTVDDVQOXHWIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-5-18(3)24-23(27)19(4)25(16-20-11-7-6-8-12-20)22(26)15-21-13-9-10-17(2)14-21/h6-14,18-19H,5,15-16H2,1-4H3,(H,24,27).
What are the key properties of 2-[benzyl-[2-(3-methylphenyl)acetyl]amino]-N-butan-2-ylpropanamide?
2-[benzyl-[2-(3-methylphenyl)acetyl]amino]-N-butan-2-ylpropanamide has a molecular weight of 366.50 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[2-(3-methylphenyl)acetyl]amino]-N-butan-2-ylpropanamide is sourced from PubChem (CID 132701697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).