3-[2-(4-methoxyphenyl)butanoylamino]-3-methylbutanamide

C16H24N2O3 — CID 119051202

IUPAC3-[2-(4-methoxyphenyl)butanoylamino]-3-methylbutanamide
SMILESCCC(C(=O)NC(C)(C)CC(N)=O)c1ccc(OC)cc1
InChIInChI=1S/C16H24N2O3/c1-5-13(11-6-8-12(21-4)9-7-11)15(20)18-16(2,3)10-14(17)19/h6-9,13H,5,10H2,1-4H3,(H2,17,19)(H,18,20)
InChIKeyMUTASFGALFDZKC-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.96
Rot. Bonds7

About 3-[2-(4-methoxyphenyl)butanoylamino]-3-methylbutanamide

3-[2-(4-methoxyphenyl)butanoylamino]-3-methylbutanamide (PubChem CID 119051202) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-[2-(4-methoxyphenyl)butanoylamino]-3-methylbutanamide.

Molecular Properties

Compound Name3-[2-(4-methoxyphenyl)butanoylamino]-3-methylbutanamide
PubChem CID119051202
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name3-[2-(4-methoxyphenyl)butanoylamino]-3-methylbutanamide
SMILESCCC(C(=O)NC(C)(C)CC(N)=O)c1ccc(OC)cc1
InChIInChI=1S/C16H24N2O3/c1-5-13(11-6-8-12(21-4)9-7-11)15(20)18-16(2,3)10-14(17)19/h6-9,13H,5,10H2,1-4H3,(H2,17,19)(H,18,20)
InChIKeyMUTASFGALFDZKC-UHFFFAOYSA-N
XLogP1.96
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-methoxyphenyl)butanoylamino]-2-methylbutanoic acid
CID 120686275
[[(4S)-4-(4-methoxyphenyl)hexan-3-ylidene]amino]urea
CID 7158868
[(E)-4-(4-methoxyphenyl)hexan-3-ylideneamino]urea
CID 6391011
N-[1-(4-methoxyphenyl)propyl]-2-phenylbutanamide
CID 43027690
2-[2-(4-methoxyphenyl)butanoylamino]-3-methylpentanoic acid
CID 120686644
3-(4-methoxyphenyl)-3-methylbutanamide
CID 50995659
cis-(1R,3S)-3-[2-(4-methoxyphenyl)butanoylamino]cyclopentane-1-carboxylic acid
CID 120690555
3-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methylbutanamide
CID 106096490
(2S)-2-(6-methoxynaphthalen-2-yl)-N-(2-methylbutan-2-yl)propanamide
CID 54790218
6-[2-(4-methoxyphenyl)butanoylamino]hexanoic acid
CID 120686933
1-[2-(4-methoxyphenyl)butanoylamino]cyclopentane-1-carboxylic acid
CID 120684629
2-(4-methoxyphenoxy)-N-(2,4,4-trimethylpentan-2-yl)butanamide
CID 133164242

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxyphenyl)butanoylamino]-3-methylbutanamide?
The IUPAC name of 3-[2-(4-methoxyphenyl)butanoylamino]-3-methylbutanamide (CID 119051202) is 3-[2-(4-methoxyphenyl)butanoylamino]-3-methylbutanamide.
What is the SMILES notation for 3-[2-(4-methoxyphenyl)butanoylamino]-3-methylbutanamide?
The canonical SMILES for 3-[2-(4-methoxyphenyl)butanoylamino]-3-methylbutanamide is CCC(C(=O)NC(C)(C)CC(N)=O)c1ccc(OC)cc1.
What is the InChIKey of 3-[2-(4-methoxyphenyl)butanoylamino]-3-methylbutanamide?
The InChIKey is MUTASFGALFDZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-5-13(11-6-8-12(21-4)9-7-11)15(20)18-16(2,3)10-14(17)19/h6-9,13H,5,10H2,1-4H3,(H2,17,19)(H,18,20).
What are the key properties of 3-[2-(4-methoxyphenyl)butanoylamino]-3-methylbutanamide?
3-[2-(4-methoxyphenyl)butanoylamino]-3-methylbutanamide has a molecular weight of 292.38 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methoxyphenyl)butanoylamino]-3-methylbutanamide is sourced from PubChem (CID 119051202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).