2-[[2-(2,3-dimethylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-methylbutanamide

C23H30N2O3 — CID 132657425

IUPAC2-[[2-(2,3-dimethylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-methylbutanamide
SMILESCCC(C(=O)NC)N(Cc1ccccc1C)C(=O)COc1cccc(C)c1C
InChIInChI=1S/C23H30N2O3/c1-6-20(23(27)24-5)25(14-19-12-8-7-10-17(19)3)22(26)15-28-21-13-9-11-16(2)18(21)4/h7-13,20H,6,14-15H2,1-5H3,(H,24,27)
InChIKeyVUGDUVYYKFHQBC-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.54
Rot. Bonds8

About 2-[[2-(2,3-dimethylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-methylbutanamide

2-[[2-(2,3-dimethylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-methylbutanamide (PubChem CID 132657425) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 2-[[2-(2,3-dimethylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-methylbutanamide.

Molecular Properties

Compound Name2-[[2-(2,3-dimethylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-methylbutanamide
PubChem CID132657425
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name2-[[2-(2,3-dimethylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-methylbutanamide
SMILESCCC(C(=O)NC)N(Cc1ccccc1C)C(=O)COc1cccc(C)c1C
InChIInChI=1S/C23H30N2O3/c1-6-20(23(27)24-5)25(14-19-12-8-7-10-17(19)3)22(26)15-28-21-13-9-11-16(2)18(21)4/h7-13,20H,6,14-15H2,1-5H3,(H,24,27)
InChIKeyVUGDUVYYKFHQBC-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[2-(2,3-dimethylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-propylbutanamide
CID 100549725
N-tert-butyl-2-[[2-(2,3-dimethylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]butanamide
CID 132710006
(2R)-2-[[2-(2-methylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-propylbutanamide
CID 100543275
(2R)-2-[benzyl-[2-(2,3-dimethylphenoxy)acetyl]amino]-N-methyl-3-phenylpropanamide
CID 100665209
(2R)-2-[[2-(2-methylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-propan-2-ylbutanamide
CID 100734100
N-butan-2-yl-2-[(2-chlorophenyl)methyl-[2-(2,3-dimethylphenoxy)acetyl]amino]butanamide
CID 132715402
N-butyl-2-[(2-chlorophenyl)methyl-[2-(2,3-dimethylphenoxy)acetyl]amino]butanamide
CID 132715452
2-[[2-(2-methoxyphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-(2-methylpropyl)butanamide
CID 132710380
(2S)-N-[(2R)-butan-2-yl]-2-[(2-methylphenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]butanamide
CID 100663065
2-[(2,4-dichlorophenyl)methyl-[2-(2,3-dimethylphenoxy)acetyl]amino]-N-methyl-3-phenylpropanamide
CID 132619210
(2R)-N-[(2R)-butan-2-yl]-2-[(2-methylphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]butanamide
CID 100666115
N-cyclohexyl-2-[(2-methylphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide
CID 132615742

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,3-dimethylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-methylbutanamide?
The IUPAC name of 2-[[2-(2,3-dimethylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-methylbutanamide (CID 132657425) is 2-[[2-(2,3-dimethylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-methylbutanamide.
What is the SMILES notation for 2-[[2-(2,3-dimethylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-methylbutanamide?
The canonical SMILES for 2-[[2-(2,3-dimethylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-methylbutanamide is CCC(C(=O)NC)N(Cc1ccccc1C)C(=O)COc1cccc(C)c1C.
What is the InChIKey of 2-[[2-(2,3-dimethylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-methylbutanamide?
The InChIKey is VUGDUVYYKFHQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-6-20(23(27)24-5)25(14-19-12-8-7-10-17(19)3)22(26)15-28-21-13-9-11-16(2)18(21)4/h7-13,20H,6,14-15H2,1-5H3,(H,24,27).
What are the key properties of 2-[[2-(2,3-dimethylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-methylbutanamide?
2-[[2-(2,3-dimethylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-methylbutanamide has a molecular weight of 382.50 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,3-dimethylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-methylbutanamide is sourced from PubChem (CID 132657425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).