3-(4-methoxyphenyl)-2,2-dimethylpropanamide

C12H17NO2 — CID 131843624

IUPAC3-(4-methoxyphenyl)-2,2-dimethylpropanamide
SMILESCOc1ccc(CC(C)(C)C(N)=O)cc1
InChIInChI=1S/C12H17NO2/c1-12(2,11(13)14)8-9-4-6-10(15-3)7-5-9/h4-7H,8H2,1-3H3,(H2,13,14)
InChIKeyFKLAFWLRKGMMHF-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.75
Rot. Bonds4

About 3-(4-methoxyphenyl)-2,2-dimethylpropanamide

3-(4-methoxyphenyl)-2,2-dimethylpropanamide (PubChem CID 131843624) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-2,2-dimethylpropanamide
PubChem CID131843624
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name3-(4-methoxyphenyl)-2,2-dimethylpropanamide
SMILESCOc1ccc(CC(C)(C)C(N)=O)cc1
InChIInChI=1S/C12H17NO2/c1-12(2,11(13)14)8-9-4-6-10(15-3)7-5-9/h4-7H,8H2,1-3H3,(H2,13,14)
InChIKeyFKLAFWLRKGMMHF-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-methoxyphenyl)methylamino]-2-methylpropanamide
CID 61212921
3-hydroxy-4-(4-methoxyphenyl)-3-methylbutan-2-one
CID 67840542
2-ethyl-2-[(4-methoxyphenyl)methyl]butanoic acid
CID 79015562
2-amino-3-(4-methoxyphenyl)-2-methylpropan-1-ol
CID 22961263
ethyl 3-hydroxy-4-(4-methoxyphenyl)-3-methyl-2-propan-2-ylbutanoate
CID 63271146
[2-(hydroxymethyl)-3-(4-methoxyphenyl)-2-methylpropyl] acetate
CID 101271148
1,2-bis(4-methoxyphenyl)propan-2-amine
CID 63273092
3-benzyl-4-(4-methoxyphenyl)-3-methylbutanoic acid
CID 18624156
2-cyano-3-(4-methoxyphenyl)-2-methylpropanoic acid
CID 82127435
2-[(4-methoxyphenyl)methyl]-2-methylbut-3-enoic acid
CID 102639505
2,2-difluoro-3-hydroxy-4-(4-methoxyphenyl)-3-methylbutanoic acid
CID 55167754
(2R)-N-(diaminomethylidene)-3-(4-methoxyphenyl)-2-methyl-2-phenylpropanamide
CID 90028508

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-2,2-dimethylpropanamide?
The IUPAC name of 3-(4-methoxyphenyl)-2,2-dimethylpropanamide (CID 131843624) is 3-(4-methoxyphenyl)-2,2-dimethylpropanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-2,2-dimethylpropanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-2,2-dimethylpropanamide is COc1ccc(CC(C)(C)C(N)=O)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-2,2-dimethylpropanamide?
The InChIKey is FKLAFWLRKGMMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-12(2,11(13)14)8-9-4-6-10(15-3)7-5-9/h4-7H,8H2,1-3H3,(H2,13,14).
What are the key properties of 3-(4-methoxyphenyl)-2,2-dimethylpropanamide?
3-(4-methoxyphenyl)-2,2-dimethylpropanamide has a molecular weight of 207.27 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 131843624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).