(2R)-2-[[2-(4-fluorophenyl)acetyl]-[(3-methylphenyl)methyl]amino]-N-propylbutanamide

C23H29FN2O2 — CID 100556680

IUPAC(2R)-2-[[2-(4-fluorophenyl)acetyl]-[(3-methylphenyl)methyl]amino]-N-propylbutanamide
SMILESCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C23H29FN2O2/c1-4-13-25-23(28)21(5-2)26(16-19-8-6-7-17(3)14-19)22(27)15-18-9-11-20(24)12-10-18/h6-12,14,21H,4-5,13,15-16H2,1-3H3,(H,25,28)/t21-/m1/s1
InChIKeyQTMMAQSFAVDJHZ-OAQYLSRUSA-N
MW384.50 g/mol
LogP4.01
Rot. Bonds9

About (2R)-2-[[2-(4-fluorophenyl)acetyl]-[(3-methylphenyl)methyl]amino]-N-propylbutanamide

(2R)-2-[[2-(4-fluorophenyl)acetyl]-[(3-methylphenyl)methyl]amino]-N-propylbutanamide (PubChem CID 100556680) has the molecular formula C23H29FN2O2 and a molecular weight of 384.50 g/mol. Its IUPAC name is (2R)-2-[[2-(4-fluorophenyl)acetyl]-[(3-methylphenyl)methyl]amino]-N-propylbutanamide.

Molecular Properties

Compound Name(2R)-2-[[2-(4-fluorophenyl)acetyl]-[(3-methylphenyl)methyl]amino]-N-propylbutanamide
PubChem CID100556680
Molecular FormulaC23H29FN2O2
Molecular Weight384.50 g/mol
Exact Mass384.22
IUPAC Name(2R)-2-[[2-(4-fluorophenyl)acetyl]-[(3-methylphenyl)methyl]amino]-N-propylbutanamide
SMILESCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C23H29FN2O2/c1-4-13-25-23(28)21(5-2)26(16-19-8-6-7-17(3)14-19)22(27)15-18-9-11-20(24)12-10-18/h6-12,14,21H,4-5,13,15-16H2,1-3H3,(H,25,28)/t21-/m1/s1
InChIKeyQTMMAQSFAVDJHZ-OAQYLSRUSA-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

Analyze (2R)-2-[[2-(4-fluorophenyl)acetyl]-[(3-methylphenyl)methyl]amino]-N-propylbutanamide 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

2-[[2-(4-chlorophenyl)acetyl]-[(3-methylphenyl)methyl]amino]-N-propylbutanamide
CID 132661425
N-ethyl-2-[(4-fluorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]butanamide
CID 132655627
(2S)-2-[[2-(3,5-dimethylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]-N-propylbutanamide
CID 100556882
(2R)-N-[(2S)-butan-2-yl]-2-[[2-(4-fluorophenyl)acetyl]-[(3-methylphenyl)methyl]amino]butanamide
CID 100676751
(2R)-N-[(2R)-butan-2-yl]-2-[[2-(4-fluorophenyl)acetyl]-[(3-methylphenyl)methyl]amino]butanamide
CID 100676740
2-[[2-(3,4-dimethylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]-N-propylbutanamide
CID 132659996
2-[[2-(4-fluorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-propylbutanamide
CID 132657951
2-[(4-fluorophenyl)methyl-[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]-N-propylbutanamide
CID 132669046
2-[[2-(4-fluorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-propylbutanamide
CID 132657947
(2R)-2-[[2-(4-fluoro-N-methylsulfonylanilino)acetyl]-[(3-methylphenyl)methyl]amino]-N-propylbutanamide
CID 100552637
2-[[2-(3-methylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]-N-(2-methylpropyl)butanamide
CID 132704405
(2S)-2-[(2,6-dichlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-propylbutanamide
CID 100603806

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(4-fluorophenyl)acetyl]-[(3-methylphenyl)methyl]amino]-N-propylbutanamide?
The IUPAC name of (2R)-2-[[2-(4-fluorophenyl)acetyl]-[(3-methylphenyl)methyl]amino]-N-propylbutanamide (CID 100556680) is (2R)-2-[[2-(4-fluorophenyl)acetyl]-[(3-methylphenyl)methyl]amino]-N-propylbutanamide.
What is the SMILES notation for (2R)-2-[[2-(4-fluorophenyl)acetyl]-[(3-methylphenyl)methyl]amino]-N-propylbutanamide?
The canonical SMILES for (2R)-2-[[2-(4-fluorophenyl)acetyl]-[(3-methylphenyl)methyl]amino]-N-propylbutanamide is CCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccc(F)cc1.
What is the InChIKey of (2R)-2-[[2-(4-fluorophenyl)acetyl]-[(3-methylphenyl)methyl]amino]-N-propylbutanamide?
The InChIKey is QTMMAQSFAVDJHZ-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H29FN2O2/c1-4-13-25-23(28)21(5-2)26(16-19-8-6-7-17(3)14-19)22(27)15-18-9-11-20(24)12-10-18/h6-12,14,21H,4-5,13,15-16H2,1-3H3,(H,25,28)/t21-/m1/s1.
What are the key properties of (2R)-2-[[2-(4-fluorophenyl)acetyl]-[(3-methylphenyl)methyl]amino]-N-propylbutanamide?
(2R)-2-[[2-(4-fluorophenyl)acetyl]-[(3-methylphenyl)methyl]amino]-N-propylbutanamide 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 (2R)-2-[[2-(4-fluorophenyl)acetyl]-[(3-methylphenyl)methyl]amino]-N-propylbutanamide is sourced from PubChem (CID 100556680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).