2-methyl-N-(3-phenoxyphenyl)butanamide

C17H19NO2 — CID 53364670

IUPAC2-methyl-N-(3-phenoxyphenyl)butanamide
SMILESCCC(C)C(=O)Nc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C17H19NO2/c1-3-13(2)17(19)18-14-8-7-11-16(12-14)20-15-9-5-4-6-10-15/h4-13H,3H2,1-2H3,(H,18,19)
InChIKeyOTTWMMNWGSORFE-UHFFFAOYSA-N
MW269.34 g/mol
LogP4.46
Rot. Bonds5

About 2-methyl-N-(3-phenoxyphenyl)butanamide

2-methyl-N-(3-phenoxyphenyl)butanamide (PubChem CID 53364670) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-methyl-N-(3-phenoxyphenyl)butanamide.

Molecular Properties

Compound Name2-methyl-N-(3-phenoxyphenyl)butanamide
PubChem CID53364670
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-methyl-N-(3-phenoxyphenyl)butanamide
SMILESCCC(C)C(=O)Nc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C17H19NO2/c1-3-13(2)17(19)18-14-8-7-11-16(12-14)20-15-9-5-4-6-10-15/h4-13H,3H2,1-2H3,(H,18,19)
InChIKeyOTTWMMNWGSORFE-UHFFFAOYSA-N
XLogP4.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(2-methylbutanoylamino)phenoxy]acetic acid
CID 17342096
2-amino-3-methyl-N-(3-pyridin-4-yloxyphenyl)pentanamide
CID 119886968
2-phenoxy-N-(3-propan-2-yloxyphenyl)butanamide
CID 17154738
N-(3-chlorophenyl)-2-methylbutanamide
CID 4636150
(2S)-N-(3-aminophenyl)-2-methylbutanamide
CID 40788840
1-methyl-3-(3-phenoxyphenyl)urea
CID 47127200
(2R)-N-(3-bromophenyl)-2-methylbutanamide
CID 670010
3-methoxy-2-(3-phenoxyanilino)propanoic acid
CID 103243354
2-amino-3-hydroxy-N-[3-(3-phenylphenoxy)phenyl]propanamide
CID 135387436
2-[3-[[3-(ethylamino)-2-methylpropanoyl]amino]phenoxy]acetic acid
CID 63771678
2,2-dimethyl-N-[4-[3-[4-(2-methylbutanoylamino)phenoxy]phenoxy]phenyl]cyclopropane-1-carboxamide
CID 142046560
N-(3-methoxyphenyl)-2-phenoxybutanamide
CID 3831473

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-phenoxyphenyl)butanamide?
The IUPAC name of 2-methyl-N-(3-phenoxyphenyl)butanamide (CID 53364670) is 2-methyl-N-(3-phenoxyphenyl)butanamide.
What is the SMILES notation for 2-methyl-N-(3-phenoxyphenyl)butanamide?
The canonical SMILES for 2-methyl-N-(3-phenoxyphenyl)butanamide is CCC(C)C(=O)Nc1cccc(Oc2ccccc2)c1.
What is the InChIKey of 2-methyl-N-(3-phenoxyphenyl)butanamide?
The InChIKey is OTTWMMNWGSORFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-3-13(2)17(19)18-14-8-7-11-16(12-14)20-15-9-5-4-6-10-15/h4-13H,3H2,1-2H3,(H,18,19).
What are the key properties of 2-methyl-N-(3-phenoxyphenyl)butanamide?
2-methyl-N-(3-phenoxyphenyl)butanamide has a molecular weight of 269.34 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-phenoxyphenyl)butanamide is sourced from PubChem (CID 53364670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).