(2S)-N-butyl-2-[(2-fluorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]propanamide

C23H29FN2O2 — CID 100563738

IUPAC(2S)-N-butyl-2-[(2-fluorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]propanamide
SMILESCCCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1ccc(C)cc1
InChIInChI=1S/C23H29FN2O2/c1-4-5-14-25-23(28)18(3)26(16-20-8-6-7-9-21(20)24)22(27)15-19-12-10-17(2)11-13-19/h6-13,18H,4-5,14-16H2,1-3H3,(H,25,28)/t18-/m0/s1
InChIKeyXGWYKWGOAXQRDW-SFHVURJKSA-N
MW384.50 g/mol
LogP4.01
Rot. Bonds9

About (2S)-N-butyl-2-[(2-fluorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]propanamide

(2S)-N-butyl-2-[(2-fluorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]propanamide (PubChem CID 100563738) has the molecular formula C23H29FN2O2 and a molecular weight of 384.50 g/mol. Its IUPAC name is (2S)-N-butyl-2-[(2-fluorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-butyl-2-[(2-fluorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]propanamide
PubChem CID100563738
Molecular FormulaC23H29FN2O2
Molecular Weight384.50 g/mol
Exact Mass384.22
IUPAC Name(2S)-N-butyl-2-[(2-fluorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]propanamide
SMILESCCCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1ccc(C)cc1
InChIInChI=1S/C23H29FN2O2/c1-4-5-14-25-23(28)18(3)26(16-20-8-6-7-9-21(20)24)22(27)15-19-12-10-17(2)11-13-19/h6-13,18H,4-5,14-16H2,1-3H3,(H,25,28)/t18-/m0/s1
InChIKeyXGWYKWGOAXQRDW-SFHVURJKSA-N
XLogP4.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2S)-N-butyl-2-[(2-fluorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]propanamide 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

(2S)-N-butyl-2-[(2-fluorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]propanamide
CID 100562497
(2S)-N-butyl-2-[[2-(3,5-dimethylphenyl)acetyl]-[(2-fluorophenyl)methyl]amino]propanamide
CID 100565173
N-butyl-2-[(4-fluorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]propanamide
CID 132703411
N-[1-(butylamino)-1-oxopropan-2-yl]-N-[(2-fluorophenyl)methyl]butanamide
CID 133257302
2-[(2-fluorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-propylpropanamide
CID 132762793
N-butyl-2-[[2-(2-fluorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide
CID 132703784
(2S)-N-butyl-2-[(2-fluorophenyl)methyl-[3-(4-methylphenyl)sulfanylpropanoyl]amino]propanamide
CID 100558400
N-butyl-2-[(4-chlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]propanamide
CID 132706192
2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]-N-propylpropanamide
CID 132653203
N-butyl-2-[[2-(2-fluorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]butanamide
CID 132705259
2-[(4-fluorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]-N-propylpropanamide
CID 132655610
(2R)-N-butyl-2-[(2-fluorophenyl)methyl-[2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]propanamide
CID 100559569

Frequently Asked Questions

What is the IUPAC name of (2S)-N-butyl-2-[(2-fluorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]propanamide?
The IUPAC name of (2S)-N-butyl-2-[(2-fluorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]propanamide (CID 100563738) is (2S)-N-butyl-2-[(2-fluorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]propanamide.
What is the SMILES notation for (2S)-N-butyl-2-[(2-fluorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]propanamide?
The canonical SMILES for (2S)-N-butyl-2-[(2-fluorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]propanamide is CCCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1ccc(C)cc1.
What is the InChIKey of (2S)-N-butyl-2-[(2-fluorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]propanamide?
The InChIKey is XGWYKWGOAXQRDW-SFHVURJKSA-N. The full InChI is InChI=1S/C23H29FN2O2/c1-4-5-14-25-23(28)18(3)26(16-20-8-6-7-9-21(20)24)22(27)15-19-12-10-17(2)11-13-19/h6-13,18H,4-5,14-16H2,1-3H3,(H,25,28)/t18-/m0/s1.
What are the key properties of (2S)-N-butyl-2-[(2-fluorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]propanamide?
(2S)-N-butyl-2-[(2-fluorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]propanamide has a molecular weight of 384.50 g/mol, XLogP of 4.01, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-butyl-2-[(2-fluorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]propanamide is sourced from PubChem (CID 100563738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).