2-[2-(3,4-dimethylphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide

C23H30N2O3 — CID 46778104

IUPAC2-[2-(3,4-dimethylphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide
SMILESCCC(Oc1ccc(C)c(C)c1)C(=O)Nc1ccccc1C(=O)NCC(C)C
InChIInChI=1S/C23H30N2O3/c1-6-21(28-18-12-11-16(4)17(5)13-18)23(27)25-20-10-8-7-9-19(20)22(26)24-14-15(2)3/h7-13,15,21H,6,14H2,1-5H3,(H,24,26)(H,25,27)
InChIKeyXKXQUEFGCIVTAT-UHFFFAOYSA-N
MW382.50 g/mol
LogP4.49
Rot. Bonds8

About 2-[2-(3,4-dimethylphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide

2-[2-(3,4-dimethylphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide (PubChem CID 46778104) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 2-[2-(3,4-dimethylphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name2-[2-(3,4-dimethylphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide
PubChem CID46778104
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name2-[2-(3,4-dimethylphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide
SMILESCCC(Oc1ccc(C)c(C)c1)C(=O)Nc1ccccc1C(=O)NCC(C)C
InChIInChI=1S/C23H30N2O3/c1-6-21(28-18-12-11-16(4)17(5)13-18)23(27)25-20-10-8-7-9-19(20)22(26)24-14-15(2)3/h7-13,15,21H,6,14H2,1-5H3,(H,24,26)(H,25,27)
InChIKeyXKXQUEFGCIVTAT-UHFFFAOYSA-N
XLogP4.49
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2R)-2-(3,4-dimethylphenoxy)butanoyl]amino]-N-(2-methoxyethyl)benzamide
CID 92685868
N-butyl-2-[[(2S)-2-(3,4-dimethylphenoxy)butanoyl]amino]benzamide
CID 28631856
2-[2-(4-ethylphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide
CID 132657490
2-[[(2S)-2-(3,4-dimethylphenoxy)butanoyl]amino]-N-(2-phenylethyl)benzamide
CID 94018440
2-[2-(3-methoxyphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide
CID 43909267
2-[[(2S)-2-(3,4-dimethylphenoxy)butanoyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 94019315
(2S)-N-(2-chlorophenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 28633690
2-(3,4-dimethylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]butanamide
CID 53284374
(2R)-2-(3,4-dimethylphenoxy)-N-naphthalen-1-ylbutanamide
CID 30379357
2-(3,4-dimethylphenoxy)-N-(2,3-dimethylphenyl)butanamide
CID 43916757
methyl 3-[[(2R)-2-(3,4-dimethylphenoxy)butanoyl]amino]-2-methylbenzoate
CID 94013322
2-(3,4-dimethylphenoxy)-N-(2-phenoxyphenyl)butanamide
CID 43876954

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethylphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide?
The IUPAC name of 2-[2-(3,4-dimethylphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide (CID 46778104) is 2-[2-(3,4-dimethylphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 2-[2-(3,4-dimethylphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 2-[2-(3,4-dimethylphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide is CCC(Oc1ccc(C)c(C)c1)C(=O)Nc1ccccc1C(=O)NCC(C)C.
What is the InChIKey of 2-[2-(3,4-dimethylphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide?
The InChIKey is XKXQUEFGCIVTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-6-21(28-18-12-11-16(4)17(5)13-18)23(27)25-20-10-8-7-9-19(20)22(26)24-14-15(2)3/h7-13,15,21H,6,14H2,1-5H3,(H,24,26)(H,25,27).
What are the key properties of 2-[2-(3,4-dimethylphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide?
2-[2-(3,4-dimethylphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide has a molecular weight of 382.50 g/mol, XLogP of 4.49, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethylphenoxy)butanoylamino]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 46778104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).