N-(3,4-dimethoxyphenyl)-N,3,3-trimethylbutanamide

C15H23NO3 — CID 110425453

IUPACN-(3,4-dimethoxyphenyl)-N,3,3-trimethylbutanamide
SMILESCOc1ccc(N(C)C(=O)CC(C)(C)C)cc1OC
InChIInChI=1S/C15H23NO3/c1-15(2,3)10-14(17)16(4)11-7-8-12(18-5)13(9-11)19-6/h7-9H,10H2,1-6H3
InChIKeyWHPPMJZVPUVNNW-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.10
Rot. Bonds4

About N-(3,4-dimethoxyphenyl)-N,3,3-trimethylbutanamide

N-(3,4-dimethoxyphenyl)-N,3,3-trimethylbutanamide (PubChem CID 110425453) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-N,3,3-trimethylbutanamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-N,3,3-trimethylbutanamide
PubChem CID110425453
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-(3,4-dimethoxyphenyl)-N,3,3-trimethylbutanamide
SMILESCOc1ccc(N(C)C(=O)CC(C)(C)C)cc1OC
InChIInChI=1S/C15H23NO3/c1-15(2,3)10-14(17)16(4)11-7-8-12(18-5)13(9-11)19-6/h7-9H,10H2,1-6H3
InChIKeyWHPPMJZVPUVNNW-UHFFFAOYSA-N
XLogP3.10
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methoxy-4-propan-2-ylphenyl)-N,3,3-trimethylbutanamide
CID 21025600
methyl 3-(3,4-dimethoxy-N-methylanilino)-3-oxopropanoate
CID 115174204
tert-butyl N-[2-(3,4-dimethoxy-N-methylanilino)-2-oxoethyl]carbamate
CID 118576972
3-amino-N-(3-fluoro-4-methoxyphenyl)-N,3-dimethylbutanamide
CID 115154887
(3,4-dimethoxyphenyl)-methylcarbamothioic S-acid
CID 88695990
N-(3,4-dimethoxyphenyl)-N-methyl-2-oxopropanamide
CID 86744650
4-amino-N-(3-fluoro-4-methoxyphenyl)-N,3,3-trimethylbutanamide
CID 115157259
N-(4-tert-butyl-3-methoxyphenyl)-N,4,4-trimethylpentanamide
CID 134557962
2-(3,4-dimethoxy-N-methylanilino)-2-methylpropanoic acid
CID 115127834
N-[2-(3,4-dimethoxy-N-methylanilino)-2-oxoethyl]benzamide
CID 110667730
2-amino-N-(3,4-dimethoxyphenyl)-N-methylpropanamide
CID 83541837
3-(benzenesulfonyl)-N-(3,4-dimethoxyphenyl)-N-methylpropanamide
CID 110422910

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-N,3,3-trimethylbutanamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-N,3,3-trimethylbutanamide (CID 110425453) is N-(3,4-dimethoxyphenyl)-N,3,3-trimethylbutanamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-N,3,3-trimethylbutanamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-N,3,3-trimethylbutanamide is COc1ccc(N(C)C(=O)CC(C)(C)C)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-N,3,3-trimethylbutanamide?
The InChIKey is WHPPMJZVPUVNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-15(2,3)10-14(17)16(4)11-7-8-12(18-5)13(9-11)19-6/h7-9H,10H2,1-6H3.
What are the key properties of N-(3,4-dimethoxyphenyl)-N,3,3-trimethylbutanamide?
N-(3,4-dimethoxyphenyl)-N,3,3-trimethylbutanamide has a molecular weight of 265.35 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-N,3,3-trimethylbutanamide is sourced from PubChem (CID 110425453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).