N-butyl-2-[[2-(3,5-dimethylphenyl)acetyl]-(2-phenylethyl)amino]propanamide

C25H34N2O2 — CID 132704484

IUPACN-butyl-2-[[2-(3,5-dimethylphenyl)acetyl]-(2-phenylethyl)amino]propanamide
SMILESCCCCNC(=O)C(C)N(CCc1ccccc1)C(=O)Cc1cc(C)cc(C)c1
InChIInChI=1S/C25H34N2O2/c1-5-6-13-26-25(29)21(4)27(14-12-22-10-8-7-9-11-22)24(28)18-23-16-19(2)15-20(3)17-23/h7-11,15-17,21H,5-6,12-14,18H2,1-4H3,(H,26,29)
InChIKeyNIRKWQHOEGAEIQ-UHFFFAOYSA-N
MW394.56 g/mol
LogP4.22
Rot. Bonds10

About N-butyl-2-[[2-(3,5-dimethylphenyl)acetyl]-(2-phenylethyl)amino]propanamide

N-butyl-2-[[2-(3,5-dimethylphenyl)acetyl]-(2-phenylethyl)amino]propanamide (PubChem CID 132704484) has the molecular formula C25H34N2O2 and a molecular weight of 394.56 g/mol. Its IUPAC name is N-butyl-2-[[2-(3,5-dimethylphenyl)acetyl]-(2-phenylethyl)amino]propanamide.

Molecular Properties

Compound NameN-butyl-2-[[2-(3,5-dimethylphenyl)acetyl]-(2-phenylethyl)amino]propanamide
PubChem CID132704484
Molecular FormulaC25H34N2O2
Molecular Weight394.56 g/mol
Exact Mass394.26
IUPAC NameN-butyl-2-[[2-(3,5-dimethylphenyl)acetyl]-(2-phenylethyl)amino]propanamide
SMILESCCCCNC(=O)C(C)N(CCc1ccccc1)C(=O)Cc1cc(C)cc(C)c1
InChIInChI=1S/C25H34N2O2/c1-5-6-13-26-25(29)21(4)27(14-12-22-10-8-7-9-11-22)24(28)18-23-16-19(2)15-20(3)17-23/h7-11,15-17,21H,5-6,12-14,18H2,1-4H3,(H,26,29)
InChIKeyNIRKWQHOEGAEIQ-UHFFFAOYSA-N
XLogP4.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 54.22
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-(3,5-dimethylphenyl)acetyl]-(2-phenylethyl)amino]-N-propan-2-ylpropanamide
CID 100727006
N-butyl-2-[[2-(4-chlorophenyl)acetyl]-(2-phenylethyl)amino]propanamide
CID 132705678
(2S)-N-butyl-2-[[2-(3,5-dimethylphenyl)acetyl]-[(2-fluorophenyl)methyl]amino]propanamide
CID 100565173
2-[[2-[(3,5-dimethylphenyl)methylsulfanyl]acetyl]-(2-phenylethyl)amino]-N-propylpropanamide
CID 132668019
2-[[2-(2,5-dimethylphenyl)acetyl]-(2-phenylethyl)amino]-N-ethylpropanamide
CID 132654820
N-butyl-2-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]-(2-phenylethyl)amino]propanamide
CID 132710628
2-[(4-bromophenyl)methyl-[2-(3,5-dimethylphenyl)acetyl]amino]-N-butylpropanamide
CID 133257632
N-butyl-2-[(4-chlorophenyl)methyl-[2-(3,5-dimethylphenyl)acetyl]amino]propanamide
CID 132708127
N-[1-(butylamino)-1-oxopropan-2-yl]-4-(4-methyl-N-methylsulfonylanilino)-N-(2-phenylethyl)butanamide
CID 132725781
2-[3-(4-methylphenyl)propanoyl-(2-phenylethyl)amino]-N-propylpropanamide
CID 132657123
2-[[2-(4-methoxyphenyl)acetyl]-(2-phenylethyl)amino]-N-propylpropanamide
CID 132657500
N-butyl-2-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]-(2-phenylethyl)amino]propanamide
CID 132723342

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[[2-(3,5-dimethylphenyl)acetyl]-(2-phenylethyl)amino]propanamide?
The IUPAC name of N-butyl-2-[[2-(3,5-dimethylphenyl)acetyl]-(2-phenylethyl)amino]propanamide (CID 132704484) is N-butyl-2-[[2-(3,5-dimethylphenyl)acetyl]-(2-phenylethyl)amino]propanamide.
What is the SMILES notation for N-butyl-2-[[2-(3,5-dimethylphenyl)acetyl]-(2-phenylethyl)amino]propanamide?
The canonical SMILES for N-butyl-2-[[2-(3,5-dimethylphenyl)acetyl]-(2-phenylethyl)amino]propanamide is CCCCNC(=O)C(C)N(CCc1ccccc1)C(=O)Cc1cc(C)cc(C)c1.
What is the InChIKey of N-butyl-2-[[2-(3,5-dimethylphenyl)acetyl]-(2-phenylethyl)amino]propanamide?
The InChIKey is NIRKWQHOEGAEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O2/c1-5-6-13-26-25(29)21(4)27(14-12-22-10-8-7-9-11-22)24(28)18-23-16-19(2)15-20(3)17-23/h7-11,15-17,21H,5-6,12-14,18H2,1-4H3,(H,26,29).
What are the key properties of N-butyl-2-[[2-(3,5-dimethylphenyl)acetyl]-(2-phenylethyl)amino]propanamide?
N-butyl-2-[[2-(3,5-dimethylphenyl)acetyl]-(2-phenylethyl)amino]propanamide has a molecular weight of 394.56 g/mol, XLogP of 4.22, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[[2-(3,5-dimethylphenyl)acetyl]-(2-phenylethyl)amino]propanamide is sourced from PubChem (CID 132704484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).