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

C12H17NO3 — CID 142888646

IUPAC2-(3,4-dimethoxyphenyl)-N-methylpropanamide
SMILESCNC(=O)C(C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C12H17NO3/c1-8(12(14)13-2)9-5-6-10(15-3)11(7-9)16-4/h5-8H,1-4H3,(H,13,14)
InChIKeyOYBFMGOXNNQITR-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.55
Rot. Bonds4

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

2-(3,4-dimethoxyphenyl)-N-methylpropanamide (PubChem CID 142888646) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-methylpropanamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-methylpropanamide
PubChem CID142888646
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2-(3,4-dimethoxyphenyl)-N-methylpropanamide
SMILESCNC(=O)C(C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C12H17NO3/c1-8(12(14)13-2)9-5-6-10(15-3)11(7-9)16-4/h5-8H,1-4H3,(H,13,14)
InChIKeyOYBFMGOXNNQITR-UHFFFAOYSA-N
XLogP1.55
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-(1-phenylethyl)propanamide
CID 171372657
2-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]-N-methylpropanamide
CID 78931098
2-(4-methoxy-3-methylphenyl)-N'-methylpropanehydrazide
CID 116846983
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-ethylbutanamide
CID 17329435
2-[1-(3,4-dimethoxyphenyl)ethylamino]propanoic acid
CID 54959912
2-(3,4-dimethoxyphenyl)-2-(propan-2-ylamino)acetic acid
CID 43754348
2-[(3,4-dimethoxyphenyl)methylamino]-N-methylpropanamide
CID 43400841
3-[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]-N-methylpropanamide
CID 78936627
1,2-bis(3,4-dimethoxyphenyl)ethane-1,2-diol
CID 11461770
2-(3,4-dimethoxyphenyl)-1-[4-(dimethylamino)-2,6-dimethoxyphenyl]propan-1-one
CID 156527695
2-[[carboxy-(3,4-dimethoxyphenyl)methyl]amino]propanoic acid
CID 82344855
methyl (2S)-2-[1-(3,4-dimethoxyphenyl)ethylamino]-3-methylbutanoate
CID 43452132

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-methylpropanamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-methylpropanamide (CID 142888646) is 2-(3,4-dimethoxyphenyl)-N-methylpropanamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-methylpropanamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-methylpropanamide is CNC(=O)C(C)c1ccc(OC)c(OC)c1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-methylpropanamide?
The InChIKey is OYBFMGOXNNQITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-8(12(14)13-2)9-5-6-10(15-3)11(7-9)16-4/h5-8H,1-4H3,(H,13,14).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-methylpropanamide?
2-(3,4-dimethoxyphenyl)-N-methylpropanamide has a molecular weight of 223.27 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-methylpropanamide is sourced from PubChem (CID 142888646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).