4-amino-4-(3,4-dimethoxyphenyl)butanamide

C12H18N2O3 — CID 60862827

IUPAC4-amino-4-(3,4-dimethoxyphenyl)butanamide
SMILESCOc1ccc(C(N)CCC(N)=O)cc1OC
InChIInChI=1S/C12H18N2O3/c1-16-10-5-3-8(7-11(10)17-2)9(13)4-6-12(14)15/h3,5,7,9H,4,6,13H2,1-2H3,(H2,14,15)
InChIKeyISBFQXMMAHADNH-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.97
Rot. Bonds6

About 4-amino-4-(3,4-dimethoxyphenyl)butanamide

4-amino-4-(3,4-dimethoxyphenyl)butanamide (PubChem CID 60862827) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-amino-4-(3,4-dimethoxyphenyl)butanamide.

Molecular Properties

Compound Name4-amino-4-(3,4-dimethoxyphenyl)butanamide
PubChem CID60862827
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name4-amino-4-(3,4-dimethoxyphenyl)butanamide
SMILESCOc1ccc(C(N)CCC(N)=O)cc1OC
InChIInChI=1S/C12H18N2O3/c1-16-10-5-3-8(7-11(10)17-2)9(13)4-6-12(14)15/h3,5,7,9H,4,6,13H2,1-2H3,(H2,14,15)
InChIKeyISBFQXMMAHADNH-UHFFFAOYSA-N
XLogP0.97
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-5-(3-chloro-4-methoxyphenyl)pentanamide
CID 54927664
6-amino-6-(3-fluoro-4-methoxyphenyl)hexanamide
CID 60860844
3-amino-3-(3,4-dimethoxyphenyl)propan-1-ol;hydrochloride
CID 132961318
ethyl 6-amino-6-(3,4-dimethoxyphenyl)hexanoate
CID 60860322
(1S)-1-(3,4-dimethoxyphenyl)-3-fluoropropan-1-amine
CID 171218870
(3R)-3-amino-3-(3,4-dimethoxyphenyl)propanoic acid
CID 670404
bis(methyl (3S)-3-amino-3-(3,4-dimethoxyphenyl)propanoate);bis(methyl (3R)-3-amino-3-(3,4-dimethoxyphenyl)propanoate)
CID 157337826
1,3-bis(3,4-dimethoxyphenyl)propane-1,3-diamine
CID 14816116
4-amino-4-(4-hydroxy-3-methoxyphenyl)butanoic acid
CID 165346911
1-(3,4-dimethoxyphenyl)-5-methylhexan-1-amine
CID 83162187
[4-[(1S)-1,3-diaminopropyl]-2-methoxyphenyl] acetate;hydrochloride
CID 171230459
[4-[(1S)-1-amino-3-fluoropropyl]-2-methoxyphenyl] acetate;hydrochloride
CID 171230487

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-(3,4-dimethoxyphenyl)butanamide?
The IUPAC name of 4-amino-4-(3,4-dimethoxyphenyl)butanamide (CID 60862827) is 4-amino-4-(3,4-dimethoxyphenyl)butanamide.
What is the SMILES notation for 4-amino-4-(3,4-dimethoxyphenyl)butanamide?
The canonical SMILES for 4-amino-4-(3,4-dimethoxyphenyl)butanamide is COc1ccc(C(N)CCC(N)=O)cc1OC.
What is the InChIKey of 4-amino-4-(3,4-dimethoxyphenyl)butanamide?
The InChIKey is ISBFQXMMAHADNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-16-10-5-3-8(7-11(10)17-2)9(13)4-6-12(14)15/h3,5,7,9H,4,6,13H2,1-2H3,(H2,14,15).
What are the key properties of 4-amino-4-(3,4-dimethoxyphenyl)butanamide?
4-amino-4-(3,4-dimethoxyphenyl)butanamide has a molecular weight of 238.29 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-(3,4-dimethoxyphenyl)butanamide is sourced from PubChem (CID 60862827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).