2-[[2-(2,5-dimethylphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-ethylpropanamide

C23H30N2O3 — CID 132657450

IUPAC2-[[2-(2,5-dimethylphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)N(Cc1ccc(OC)cc1)C(=O)Cc1cc(C)ccc1C
InChIInChI=1S/C23H30N2O3/c1-6-24-23(27)18(4)25(15-19-9-11-21(28-5)12-10-19)22(26)14-20-13-16(2)7-8-17(20)3/h7-13,18H,6,14-15H2,1-5H3,(H,24,27)
InChIKeyKSIRCVGJVIQUEN-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.41
Rot. Bonds8

About 2-[[2-(2,5-dimethylphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-ethylpropanamide

2-[[2-(2,5-dimethylphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-ethylpropanamide (PubChem CID 132657450) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 2-[[2-(2,5-dimethylphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[[2-(2,5-dimethylphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-ethylpropanamide
PubChem CID132657450
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name2-[[2-(2,5-dimethylphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)N(Cc1ccc(OC)cc1)C(=O)Cc1cc(C)ccc1C
InChIInChI=1S/C23H30N2O3/c1-6-24-23(27)18(4)25(15-19-9-11-21(28-5)12-10-19)22(26)14-20-13-16(2)7-8-17(20)3/h7-13,18H,6,14-15H2,1-5H3,(H,24,27)
InChIKeyKSIRCVGJVIQUEN-UHFFFAOYSA-N
XLogP3.41
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2,5-dimethylphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(2-methylpropyl)propanamide
CID 132706907
2-[[2-(3,4-dimethylphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-ethylpropanamide
CID 132657470
N-ethyl-2-[(4-methoxyphenyl)methyl-[2-(3-methylphenyl)acetyl]amino]propanamide
CID 132655277
2-[[2-(2,5-dimethylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-ethylpropanamide
CID 132654822
2-[(4-methoxyphenyl)methyl-[2-(2-methylphenyl)acetyl]amino]-N-propylpropanamide
CID 132657554
(2R)-2-[(4-methoxyphenyl)methyl-[2-(4-methylphenyl)acetyl]amino]-N-propylpropanamide
CID 100528406
2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-ethylpropanamide
CID 133213388
2-[[2-(4-methoxyphenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-(2-methylpropyl)propanamide
CID 132704751
2-[[2-(3,4-dimethylphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-N-ethylpropanamide
CID 132657466
2-[[2-(2,5-dimethylphenyl)acetyl]-(2-phenylethyl)amino]-N-ethylpropanamide
CID 132654820
2-[(3,4-dichlorophenyl)methyl-[2-(2,5-dimethylphenyl)acetyl]amino]-N-propylpropanamide
CID 132670462
2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]propanamide
CID 133213398

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,5-dimethylphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-ethylpropanamide?
The IUPAC name of 2-[[2-(2,5-dimethylphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-ethylpropanamide (CID 132657450) is 2-[[2-(2,5-dimethylphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-ethylpropanamide.
What is the SMILES notation for 2-[[2-(2,5-dimethylphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-ethylpropanamide?
The canonical SMILES for 2-[[2-(2,5-dimethylphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-ethylpropanamide is CCNC(=O)C(C)N(Cc1ccc(OC)cc1)C(=O)Cc1cc(C)ccc1C.
What is the InChIKey of 2-[[2-(2,5-dimethylphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-ethylpropanamide?
The InChIKey is KSIRCVGJVIQUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-6-24-23(27)18(4)25(15-19-9-11-21(28-5)12-10-19)22(26)14-20-13-16(2)7-8-17(20)3/h7-13,18H,6,14-15H2,1-5H3,(H,24,27).
What are the key properties of 2-[[2-(2,5-dimethylphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-ethylpropanamide?
2-[[2-(2,5-dimethylphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-ethylpropanamide has a molecular weight of 382.50 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,5-dimethylphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-ethylpropanamide is sourced from PubChem (CID 132657450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).