N-butan-2-yl-2-(3,4-dimethoxyphenyl)-2-methylpropanamide

C16H25NO3 — CID 110437705

IUPACN-butan-2-yl-2-(3,4-dimethoxyphenyl)-2-methylpropanamide
SMILESCCC(C)NC(=O)C(C)(C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C16H25NO3/c1-7-11(2)17-15(18)16(3,4)12-8-9-13(19-5)14(10-12)20-6/h8-11H,7H2,1-6H3,(H,17,18)
InChIKeyFSDPPYOZHMFHQR-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.90
Rot. Bonds6

About N-butan-2-yl-2-(3,4-dimethoxyphenyl)-2-methylpropanamide

N-butan-2-yl-2-(3,4-dimethoxyphenyl)-2-methylpropanamide (PubChem CID 110437705) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-butan-2-yl-2-(3,4-dimethoxyphenyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(3,4-dimethoxyphenyl)-2-methylpropanamide
PubChem CID110437705
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC NameN-butan-2-yl-2-(3,4-dimethoxyphenyl)-2-methylpropanamide
SMILESCCC(C)NC(=O)C(C)(C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C16H25NO3/c1-7-11(2)17-15(18)16(3,4)12-8-9-13(19-5)14(10-12)20-6/h8-11H,7H2,1-6H3,(H,17,18)
InChIKeyFSDPPYOZHMFHQR-UHFFFAOYSA-N
XLogP2.90
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethoxyphenyl)-2-methyl-N-[2-(methylamino)propyl]propanamide
CID 120832492
N-(2-aminoethyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide;hydrochloride
CID 119382877
N-(2-amino-1-cyclohexylethyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide;hydrochloride
CID 119589762
N-[(2R)-3-(3,4-dimethoxyphenyl)-3-methylbutan-2-yl]acetamide
CID 125463917
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2,2-dimethylpropanamide
CID 139749507
2-(3,4-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-2-methylpropanamide
CID 110438702
N'-butan-2-yl-N-(3,4-dimethoxyphenyl)propanediamide
CID 108941868
N-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide
CID 110438694
N-[4-(diethylamino)butyl]-2-(3,4-dimethoxyphenyl)-2-methylpropanamide
CID 110437749
methyl 2-(butan-2-ylamino)-2-(3,4-dimethoxyphenyl)acetate
CID 61024813
N-(3-amino-4-methoxyphenyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide
CID 119419317
(E)-N-[(2S)-butan-2-yl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 912474

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(3,4-dimethoxyphenyl)-2-methylpropanamide?
The IUPAC name of N-butan-2-yl-2-(3,4-dimethoxyphenyl)-2-methylpropanamide (CID 110437705) is N-butan-2-yl-2-(3,4-dimethoxyphenyl)-2-methylpropanamide.
What is the SMILES notation for N-butan-2-yl-2-(3,4-dimethoxyphenyl)-2-methylpropanamide?
The canonical SMILES for N-butan-2-yl-2-(3,4-dimethoxyphenyl)-2-methylpropanamide is CCC(C)NC(=O)C(C)(C)c1ccc(OC)c(OC)c1.
What is the InChIKey of N-butan-2-yl-2-(3,4-dimethoxyphenyl)-2-methylpropanamide?
The InChIKey is FSDPPYOZHMFHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-7-11(2)17-15(18)16(3,4)12-8-9-13(19-5)14(10-12)20-6/h8-11H,7H2,1-6H3,(H,17,18).
What are the key properties of N-butan-2-yl-2-(3,4-dimethoxyphenyl)-2-methylpropanamide?
N-butan-2-yl-2-(3,4-dimethoxyphenyl)-2-methylpropanamide has a molecular weight of 279.38 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(3,4-dimethoxyphenyl)-2-methylpropanamide is sourced from PubChem (CID 110437705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).