3-(4-methoxyphenyl)-3-methylbutanamide

C12H17NO2 — CID 50995659

IUPAC3-(4-methoxyphenyl)-3-methylbutanamide
SMILESCOc1ccc(C(C)(C)CC(N)=O)cc1
InChIInChI=1S/C12H17NO2/c1-12(2,8-11(13)14)9-4-6-10(15-3)7-5-9/h4-7H,8H2,1-3H3,(H2,13,14)
InChIKeyNGRSBWWSWHSQBI-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.85
Rot. Bonds4

About 3-(4-methoxyphenyl)-3-methylbutanamide

3-(4-methoxyphenyl)-3-methylbutanamide (PubChem CID 50995659) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-3-methylbutanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-3-methylbutanamide
PubChem CID50995659
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name3-(4-methoxyphenyl)-3-methylbutanamide
SMILESCOc1ccc(C(C)(C)CC(N)=O)cc1
InChIInChI=1S/C12H17NO2/c1-12(2,8-11(13)14)9-4-6-10(15-3)7-5-9/h4-7H,8H2,1-3H3,(H2,13,14)
InChIKeyNGRSBWWSWHSQBI-UHFFFAOYSA-N
XLogP1.85
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-amino-3-(4-methoxyphenyl)butanoate
CID 79848680
3-hydroxy-N-[2-(4-methoxyphenyl)-2-methylpropyl]propanamide
CID 115139502
2,2-difluoro-2-(4-methoxyphenyl)acetamide
CID 115022146
3-[4-(2,5-dioxopyrrol-1-yl)phenyl]-3-methylbutanamide
CID 126575394
1-[2,4-bis(4-methoxyphenyl)-4-methylpentan-2-yl]-4-methoxybenzene
CID 633671
N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-4-methoxybenzamide
CID 14698593
(2R)-4-(4-methoxyphenyl)-4-methylpentan-2-amine
CID 42077610
3-(4-methoxyphenyl)-2,2-dimethylpropanamide
CID 131843624
[4-(2-methylbutan-2-yl)phenyl] 4-methoxybenzoate
CID 23010917
1-tert-butyl-2-[2-(4-methoxyphenyl)-2-methylpropyl]guanidine
CID 111089683
4-amino-N-[2-(4-methoxyphenyl)-2-methylpropyl]butanamide
CID 110460825
1-(4-hydroxy-2,2-dimethylbutyl)-3-[2-(4-methoxyphenyl)-2-methylpropyl]urea
CID 111505453

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-3-methylbutanamide?
The IUPAC name of 3-(4-methoxyphenyl)-3-methylbutanamide (CID 50995659) is 3-(4-methoxyphenyl)-3-methylbutanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-3-methylbutanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-3-methylbutanamide is COc1ccc(C(C)(C)CC(N)=O)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-3-methylbutanamide?
The InChIKey is NGRSBWWSWHSQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-12(2,8-11(13)14)9-4-6-10(15-3)7-5-9/h4-7H,8H2,1-3H3,(H2,13,14).
What are the key properties of 3-(4-methoxyphenyl)-3-methylbutanamide?
3-(4-methoxyphenyl)-3-methylbutanamide has a molecular weight of 207.27 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-3-methylbutanamide is sourced from PubChem (CID 50995659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).