N-(3-acetylphenyl)-2-(4-methylphenoxy)butanamide

C19H21NO3 — CID 4949978

IUPACN-(3-acetylphenyl)-2-(4-methylphenoxy)butanamide
SMILESCCC(Oc1ccc(C)cc1)C(=O)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C19H21NO3/c1-4-18(23-17-10-8-13(2)9-11-17)19(22)20-16-7-5-6-15(12-16)14(3)21/h5-12,18H,4H2,1-3H3,(H,20,22)
InChIKeyUGCQBRASIOVHMY-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.99
Rot. Bonds6

About N-(3-acetylphenyl)-2-(4-methylphenoxy)butanamide

N-(3-acetylphenyl)-2-(4-methylphenoxy)butanamide (PubChem CID 4949978) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(4-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(4-methylphenoxy)butanamide
PubChem CID4949978
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC NameN-(3-acetylphenyl)-2-(4-methylphenoxy)butanamide
SMILESCCC(Oc1ccc(C)cc1)C(=O)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C19H21NO3/c1-4-18(23-17-10-8-13(2)9-11-17)19(22)20-16-7-5-6-15(12-16)14(3)21/h5-12,18H,4H2,1-3H3,(H,20,22)
InChIKeyUGCQBRASIOVHMY-UHFFFAOYSA-N
XLogP3.99
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-[2-(4-methylphenoxy)butanoylamino]benzoate
CID 132652172
(2S)-N-(3-ethoxyphenyl)-2-(4-methylphenoxy)butanamide
CID 41228638
2-(4-methylphenoxy)-N-[3-(piperidine-1-carbonyl)phenyl]butanamide
CID 43878334
N-benzyl-N-methyl-3-[2-(4-methylphenoxy)butanoylamino]benzamide
CID 43877329
3-[2-(4-methylphenoxy)butanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 43878204
(2S)-2-(4-methylphenoxy)-N-[3-(morpholine-4-carbonyl)phenyl]butanamide
CID 42579577
3-[2-(3,4-dimethylphenoxy)butanoylamino]benzamide
CID 53284317
2-(4-fluorophenoxy)-N-(3-methylphenyl)butanamide
CID 53284409
methyl 3-[[(2S)-2-(3,4-dimethylphenoxy)butanoyl]amino]benzoate
CID 94026950
ethyl 3-[[(2R)-2-(3,4-dimethylphenoxy)butanoyl]amino]benzoate
CID 94019557
N-(4-acetylphenyl)-2-(3,5-dimethylphenoxy)butanamide
CID 17034445
methyl 3-[2-(4-chloro-3-methylphenoxy)butanoylamino]benzoate
CID 53289013

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(4-methylphenoxy)butanamide?
The IUPAC name of N-(3-acetylphenyl)-2-(4-methylphenoxy)butanamide (CID 4949978) is N-(3-acetylphenyl)-2-(4-methylphenoxy)butanamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(4-methylphenoxy)butanamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(4-methylphenoxy)butanamide is CCC(Oc1ccc(C)cc1)C(=O)Nc1cccc(C(C)=O)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-(4-methylphenoxy)butanamide?
The InChIKey is UGCQBRASIOVHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-4-18(23-17-10-8-13(2)9-11-17)19(22)20-16-7-5-6-15(12-16)14(3)21/h5-12,18H,4H2,1-3H3,(H,20,22).
What are the key properties of N-(3-acetylphenyl)-2-(4-methylphenoxy)butanamide?
N-(3-acetylphenyl)-2-(4-methylphenoxy)butanamide has a molecular weight of 311.38 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(4-methylphenoxy)butanamide is sourced from PubChem (CID 4949978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).