N-ethyl-2-[3-(4-ethylphenyl)propanoyl-[(2-methylphenyl)methyl]amino]butanamide

C25H34N2O2 — CID 132660039

IUPACN-ethyl-2-[3-(4-ethylphenyl)propanoyl-[(2-methylphenyl)methyl]amino]butanamide
SMILESCCNC(=O)C(CC)N(Cc1ccccc1C)C(=O)CCc1ccc(CC)cc1
InChIInChI=1S/C25H34N2O2/c1-5-20-12-14-21(15-13-20)16-17-24(28)27(23(6-2)25(29)26-7-3)18-22-11-9-8-10-19(22)4/h8-15,23H,5-7,16-18H2,1-4H3,(H,26,29)
InChIKeyDDBVCCKJZOZZFY-UHFFFAOYSA-N
MW394.56 g/mol
LogP4.43
Rot. Bonds10

About N-ethyl-2-[3-(4-ethylphenyl)propanoyl-[(2-methylphenyl)methyl]amino]butanamide

N-ethyl-2-[3-(4-ethylphenyl)propanoyl-[(2-methylphenyl)methyl]amino]butanamide (PubChem CID 132660039) has the molecular formula C25H34N2O2 and a molecular weight of 394.56 g/mol. Its IUPAC name is N-ethyl-2-[3-(4-ethylphenyl)propanoyl-[(2-methylphenyl)methyl]amino]butanamide.

Molecular Properties

Compound NameN-ethyl-2-[3-(4-ethylphenyl)propanoyl-[(2-methylphenyl)methyl]amino]butanamide
PubChem CID132660039
Molecular FormulaC25H34N2O2
Molecular Weight394.56 g/mol
Exact Mass394.26
IUPAC NameN-ethyl-2-[3-(4-ethylphenyl)propanoyl-[(2-methylphenyl)methyl]amino]butanamide
SMILESCCNC(=O)C(CC)N(Cc1ccccc1C)C(=O)CCc1ccc(CC)cc1
InChIInChI=1S/C25H34N2O2/c1-5-20-12-14-21(15-13-20)16-17-24(28)27(23(6-2)25(29)26-7-3)18-22-11-9-8-10-19(22)4/h8-15,23H,5-7,16-18H2,1-4H3,(H,26,29)
InChIKeyDDBVCCKJZOZZFY-UHFFFAOYSA-N
XLogP4.43
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 ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-2-[3-(4-ethylphenyl)propanoyl-[(2-methylphenyl)methyl]amino]butanamide
CID 132709520
(2R)-N-butyl-2-[3-(4-ethylphenyl)propanoyl-[(2-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 100590410
N-butyl-2-[3-(4-ethylphenyl)propanoyl-[(2-methylphenyl)methyl]amino]propanamide
CID 132706662
2-[3-(4-ethylphenyl)propanoyl-[(2-methylphenyl)methyl]amino]-3-phenyl-N-propan-2-ylpropanamide
CID 133195722
(2S)-N-cyclohexyl-2-[(2-methylphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]butanamide
CID 100533134
2-[benzyl-[3-(4-ethylphenyl)propanoyl]amino]-N-butylbutanamide
CID 132706623
N-tert-butyl-2-[3-(4-ethylphenyl)propanoyl-[(2-methylphenyl)methyl]amino]propanamide
CID 132706679
2-[[2-(2-chlorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-ethylbutanamide
CID 132658446
2-[3-(3,4-dimethoxyphenyl)propanoyl-[(2-methylphenyl)methyl]amino]-N-propylbutanamide
CID 132672115
(2S)-2-[3-(1,3-benzodioxol-5-yl)propanoyl-[(2-methylphenyl)methyl]amino]-N-propylbutanamide
CID 100549449
2-[(2-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-propylbutanamide
CID 132669053
N-tert-butyl-2-[(2-chlorophenyl)methyl-[3-(4-ethylphenyl)propanoyl]amino]butanamide
CID 132714894

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[3-(4-ethylphenyl)propanoyl-[(2-methylphenyl)methyl]amino]butanamide?
The IUPAC name of N-ethyl-2-[3-(4-ethylphenyl)propanoyl-[(2-methylphenyl)methyl]amino]butanamide (CID 132660039) is N-ethyl-2-[3-(4-ethylphenyl)propanoyl-[(2-methylphenyl)methyl]amino]butanamide.
What is the SMILES notation for N-ethyl-2-[3-(4-ethylphenyl)propanoyl-[(2-methylphenyl)methyl]amino]butanamide?
The canonical SMILES for N-ethyl-2-[3-(4-ethylphenyl)propanoyl-[(2-methylphenyl)methyl]amino]butanamide is CCNC(=O)C(CC)N(Cc1ccccc1C)C(=O)CCc1ccc(CC)cc1.
What is the InChIKey of N-ethyl-2-[3-(4-ethylphenyl)propanoyl-[(2-methylphenyl)methyl]amino]butanamide?
The InChIKey is DDBVCCKJZOZZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O2/c1-5-20-12-14-21(15-13-20)16-17-24(28)27(23(6-2)25(29)26-7-3)18-22-11-9-8-10-19(22)4/h8-15,23H,5-7,16-18H2,1-4H3,(H,26,29).
What are the key properties of N-ethyl-2-[3-(4-ethylphenyl)propanoyl-[(2-methylphenyl)methyl]amino]butanamide?
N-ethyl-2-[3-(4-ethylphenyl)propanoyl-[(2-methylphenyl)methyl]amino]butanamide has a molecular weight of 394.56 g/mol, XLogP of 4.43, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-(4-ethylphenyl)propanoyl-[(2-methylphenyl)methyl]amino]butanamide is sourced from PubChem (CID 132660039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).