2-(2-methylphenoxy)-N-[2-methyl-3-(propanoylamino)phenyl]butanamide

C21H26N2O3 — CID 46760567

IUPAC2-(2-methylphenoxy)-N-[2-methyl-3-(propanoylamino)phenyl]butanamide
SMILESCCC(=O)Nc1cccc(NC(=O)C(CC)Oc2ccccc2C)c1C
InChIInChI=1S/C21H26N2O3/c1-5-18(26-19-13-8-7-10-14(19)3)21(25)23-17-12-9-11-16(15(17)4)22-20(24)6-2/h7-13,18H,5-6H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyNBDGOHBDJCTRCC-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.45
Rot. Bonds7

About 2-(2-methylphenoxy)-N-[2-methyl-3-(propanoylamino)phenyl]butanamide

2-(2-methylphenoxy)-N-[2-methyl-3-(propanoylamino)phenyl]butanamide (PubChem CID 46760567) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-[2-methyl-3-(propanoylamino)phenyl]butanamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-[2-methyl-3-(propanoylamino)phenyl]butanamide
PubChem CID46760567
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name2-(2-methylphenoxy)-N-[2-methyl-3-(propanoylamino)phenyl]butanamide
SMILESCCC(=O)Nc1cccc(NC(=O)C(CC)Oc2ccccc2C)c1C
InChIInChI=1S/C21H26N2O3/c1-5-18(26-19-13-8-7-10-14(19)3)21(25)23-17-12-9-11-16(15(17)4)22-20(24)6-2/h7-13,18H,5-6H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyNBDGOHBDJCTRCC-UHFFFAOYSA-N
XLogP4.45
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylphenoxy)-N-[2-[2-(2-methylphenoxy)butanoylamino]phenyl]butanamide
CID 4932214
methyl 2-[[(2S)-2-(2-methylphenoxy)butanoyl]amino]benzoate
CID 94019615
(2S)-N-(2-ethylsulfanylphenyl)-2-(2-methylphenoxy)butanamide
CID 92674524
2-[2-(2,3-dimethylphenoxy)butanoylamino]benzamide
CID 53284462
2-(2,3-dimethylphenoxy)-N-(2-propan-2-ylphenyl)butanamide
CID 46763608
(2S)-2-(2,3-dimethylphenoxy)-N-(2-methylsulfanylphenyl)butanamide
CID 28577689
(2R)-N-(2,3-dimethylphenyl)-2-phenoxybutanamide
CID 871108
2-[[(2R)-2-(2,3-dimethylphenoxy)butanoyl]amino]-N-propan-2-ylbenzamide
CID 92674701
(2R)-N-(4-iodo-2-methylphenyl)-2-(2-methylphenoxy)butanamide
CID 30396590
2-(2-butan-2-ylphenoxy)-N-[2-methyl-3-(propanoylamino)phenyl]propanamide
CID 46760646
N-(2,3-dichlorophenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 43885937
N-(2,4-dichlorophenyl)-2-(2-methylphenoxy)butanamide
CID 4931772

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N-[2-methyl-3-(propanoylamino)phenyl]butanamide?
The IUPAC name of 2-(2-methylphenoxy)-N-[2-methyl-3-(propanoylamino)phenyl]butanamide (CID 46760567) is 2-(2-methylphenoxy)-N-[2-methyl-3-(propanoylamino)phenyl]butanamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-[2-methyl-3-(propanoylamino)phenyl]butanamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-[2-methyl-3-(propanoylamino)phenyl]butanamide is CCC(=O)Nc1cccc(NC(=O)C(CC)Oc2ccccc2C)c1C.
What is the InChIKey of 2-(2-methylphenoxy)-N-[2-methyl-3-(propanoylamino)phenyl]butanamide?
The InChIKey is NBDGOHBDJCTRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-5-18(26-19-13-8-7-10-14(19)3)21(25)23-17-12-9-11-16(15(17)4)22-20(24)6-2/h7-13,18H,5-6H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of 2-(2-methylphenoxy)-N-[2-methyl-3-(propanoylamino)phenyl]butanamide?
2-(2-methylphenoxy)-N-[2-methyl-3-(propanoylamino)phenyl]butanamide has a molecular weight of 354.45 g/mol, XLogP of 4.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-N-[2-methyl-3-(propanoylamino)phenyl]butanamide is sourced from PubChem (CID 46760567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).