N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]acetamide

C15H23NO3 — CID 110314862

IUPACN-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]acetamide
SMILESCOc1ccc(C(CNC(C)=O)C(C)C)cc1OC
InChIInChI=1S/C15H23NO3/c1-10(2)13(9-16-11(3)17)12-6-7-14(18-4)15(8-12)19-5/h6-8,10,13H,9H2,1-5H3,(H,16,17)
InChIKeyHRVPKNHQPXSZPV-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.58
Rot. Bonds6

About N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]acetamide

N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]acetamide (PubChem CID 110314862) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]acetamide
PubChem CID110314862
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]acetamide
SMILESCOc1ccc(C(CNC(C)=O)C(C)C)cc1OC
InChIInChI=1S/C15H23NO3/c1-10(2)13(9-16-11(3)17)12-6-7-14(18-4)15(8-12)19-5/h6-8,10,13H,9H2,1-5H3,(H,16,17)
InChIKeyHRVPKNHQPXSZPV-UHFFFAOYSA-N
XLogP2.58
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]furan-2-carboxamide
CID 110314871
N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]oxolane-2-carboxamide
CID 110314869
N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]-3-(furan-2-yl)propanamide
CID 110312529
N-[(2R)-3-(3,4-dimethoxyphenyl)-2-methylpropyl]acetamide
CID 97249003
N-[2-[[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]amino]ethyl]acetamide
CID 82314341
N-[2-(3-cyclopentyloxy-4-methoxyphenyl)propyl]acetamide
CID 142072683
3-ethoxy-4-methoxy-N-(3-methyl-2-phenylbutyl)benzamide
CID 46433040
N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]benzenesulfonamide
CID 110314900
N-[(1R,3S)-3-acetamido-1,3-bis(3,4-dimethoxyphenyl)propyl]acetamide
CID 14816122
N-[3-(4-amino-3-methoxyphenyl)-2,3-dihydroxypropyl]acetamide
CID 170830189
N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]-1-phenylmethanesulfonamide
CID 110314905
methyl 3-(4-methoxy-3-methylphenyl)-4-methylpentanoate
CID 112508803

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]acetamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]acetamide (CID 110314862) is N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]acetamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]acetamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]acetamide is COc1ccc(C(CNC(C)=O)C(C)C)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]acetamide?
The InChIKey is HRVPKNHQPXSZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-10(2)13(9-16-11(3)17)12-6-7-14(18-4)15(8-12)19-5/h6-8,10,13H,9H2,1-5H3,(H,16,17).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]acetamide?
N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]acetamide has a molecular weight of 265.35 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]acetamide is sourced from PubChem (CID 110314862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).