N-butyl-2-[[2-(2-methylphenyl)acetyl]-(2-phenylethyl)amino]butanamide

C25H34N2O2 — CID 132704476

IUPACN-butyl-2-[[2-(2-methylphenyl)acetyl]-(2-phenylethyl)amino]butanamide
SMILESCCCCNC(=O)C(CC)N(CCc1ccccc1)C(=O)Cc1ccccc1C
InChIInChI=1S/C25H34N2O2/c1-4-6-17-26-25(29)23(5-2)27(18-16-21-13-8-7-9-14-21)24(28)19-22-15-11-10-12-20(22)3/h7-15,23H,4-6,16-19H2,1-3H3,(H,26,29)
InChIKeyPDRLXRVZEQRZOZ-UHFFFAOYSA-N
MW394.56 g/mol
LogP4.30
Rot. Bonds11

About N-butyl-2-[[2-(2-methylphenyl)acetyl]-(2-phenylethyl)amino]butanamide

N-butyl-2-[[2-(2-methylphenyl)acetyl]-(2-phenylethyl)amino]butanamide (PubChem CID 132704476) has the molecular formula C25H34N2O2 and a molecular weight of 394.56 g/mol. Its IUPAC name is N-butyl-2-[[2-(2-methylphenyl)acetyl]-(2-phenylethyl)amino]butanamide.

Molecular Properties

Compound NameN-butyl-2-[[2-(2-methylphenyl)acetyl]-(2-phenylethyl)amino]butanamide
PubChem CID132704476
Molecular FormulaC25H34N2O2
Molecular Weight394.56 g/mol
Exact Mass394.26
IUPAC NameN-butyl-2-[[2-(2-methylphenyl)acetyl]-(2-phenylethyl)amino]butanamide
SMILESCCCCNC(=O)C(CC)N(CCc1ccccc1)C(=O)Cc1ccccc1C
InChIInChI=1S/C25H34N2O2/c1-4-6-17-26-25(29)23(5-2)27(18-16-21-13-8-7-9-14-21)24(28)19-22-15-11-10-12-20(22)3/h7-15,23H,4-6,16-19H2,1-3H3,(H,26,29)
InChIKeyPDRLXRVZEQRZOZ-UHFFFAOYSA-N
XLogP4.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[[2-(2-methylphenyl)acetyl]-(2-phenylethyl)amino]-N-propylbutanamide
CID 100638415
N-butyl-2-[[2-(4-fluorophenyl)acetyl]-(2-phenylethyl)amino]butanamide
CID 132705262
N-butyl-2-[[2-(2-methylphenyl)acetyl]-[(4-methylphenyl)methyl]amino]butanamide
CID 132704479
2-[[2-(2,5-dimethylphenyl)acetyl]-(2-phenylethyl)amino]-N-ethylbutanamide
CID 132657067
N-butyl-2-[[2-(2,3-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]butanamide
CID 132709956
(2S)-2-[benzyl-[2-(2-methylphenyl)acetyl]amino]-N-butyl-3-phenylpropanamide
CID 100585388
(2R)-N-butyl-2-[[2-(2-methylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 100591442
N-ethyl-2-[(2-phenylacetyl)-(2-phenylethyl)amino]butanamide
CID 132653231
2-[butanoyl(2-phenylethyl)amino]-N-propylbutanamide
CID 132650766
N-butyl-2-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]-(2-phenylethyl)amino]butanamide
CID 132714304
(2S)-2-[(4-bromophenyl)methyl-[2-(2-methylphenyl)acetyl]amino]-N-butyl-3-phenylpropanamide
CID 100680389
N-butyl-2-[3-(4-ethylphenyl)propanoyl-[(2-methylphenyl)methyl]amino]butanamide
CID 132709520

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[[2-(2-methylphenyl)acetyl]-(2-phenylethyl)amino]butanamide?
The IUPAC name of N-butyl-2-[[2-(2-methylphenyl)acetyl]-(2-phenylethyl)amino]butanamide (CID 132704476) is N-butyl-2-[[2-(2-methylphenyl)acetyl]-(2-phenylethyl)amino]butanamide.
What is the SMILES notation for N-butyl-2-[[2-(2-methylphenyl)acetyl]-(2-phenylethyl)amino]butanamide?
The canonical SMILES for N-butyl-2-[[2-(2-methylphenyl)acetyl]-(2-phenylethyl)amino]butanamide is CCCCNC(=O)C(CC)N(CCc1ccccc1)C(=O)Cc1ccccc1C.
What is the InChIKey of N-butyl-2-[[2-(2-methylphenyl)acetyl]-(2-phenylethyl)amino]butanamide?
The InChIKey is PDRLXRVZEQRZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O2/c1-4-6-17-26-25(29)23(5-2)27(18-16-21-13-8-7-9-14-21)24(28)19-22-15-11-10-12-20(22)3/h7-15,23H,4-6,16-19H2,1-3H3,(H,26,29).
What are the key properties of N-butyl-2-[[2-(2-methylphenyl)acetyl]-(2-phenylethyl)amino]butanamide?
N-butyl-2-[[2-(2-methylphenyl)acetyl]-(2-phenylethyl)amino]butanamide has a molecular weight of 394.56 g/mol, XLogP of 4.30, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[[2-(2-methylphenyl)acetyl]-(2-phenylethyl)amino]butanamide is sourced from PubChem (CID 132704476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).