3-(3,4-dimethoxyphenyl)-N-propan-2-ylpropanamide

C14H21NO3 — CID 19220709

IUPAC3-(3,4-dimethoxyphenyl)-N-propan-2-ylpropanamide
SMILESCOc1ccc(CCC(=O)NC(C)C)cc1OC
InChIInChI=1S/C14H21NO3/c1-10(2)15-14(16)8-6-11-5-7-12(17-3)13(9-11)18-4/h5,7,9-10H,6,8H2,1-4H3,(H,15,16)
InChIKeyBSTVEHMDBMRTGW-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.16
Rot. Bonds6

About 3-(3,4-dimethoxyphenyl)-N-propan-2-ylpropanamide

3-(3,4-dimethoxyphenyl)-N-propan-2-ylpropanamide (PubChem CID 19220709) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-propan-2-ylpropanamide
PubChem CID19220709
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name3-(3,4-dimethoxyphenyl)-N-propan-2-ylpropanamide
SMILESCOc1ccc(CCC(=O)NC(C)C)cc1OC
InChIInChI=1S/C14H21NO3/c1-10(2)15-14(16)8-6-11-5-7-12(17-3)13(9-11)18-4/h5,7,9-10H,6,8H2,1-4H3,(H,15,16)
InChIKeyBSTVEHMDBMRTGW-UHFFFAOYSA-N
XLogP2.16
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(3,4-dimethoxyphenyl)propanoylamino]-3-methylpentanamide
CID 78773055
methyl 3-[3-(3,4-dimethoxyphenyl)propanoylamino]pentanoate
CID 110476823
(2R)-2-[3-(3,4-dimethoxyphenyl)propanoylamino]-2-phenylacetic acid
CID 119367699
3-(3,4-dimethoxyphenyl)-N-[6-(propan-2-ylamino)pyridazin-3-yl]propanamide
CID 113037967
N-[1-(2-bromophenyl)ethyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 42999118
1-(3,4-dimethoxyphenyl)-4-methylpentan-3-one
CID 64503586
(3S)-3-[3-(3,4-dimethoxyphenyl)propanoylamino]-3-phenylpropanoic acid
CID 51519338
3-[3-(3,4-dimethoxyphenyl)propanoylamino]-3-phenylpropanoic acid
CID 45461382
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 51492377
3-(3,4-diethoxyphenyl)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 99949595
3-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]propanamide
CID 46764441
N-(2,4-dimethylpentan-3-yl)-3-(4-methoxy-3-methylphenyl)propanamide
CID 100749422

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-propan-2-ylpropanamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-propan-2-ylpropanamide (CID 19220709) is 3-(3,4-dimethoxyphenyl)-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-propan-2-ylpropanamide is COc1ccc(CCC(=O)NC(C)C)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-propan-2-ylpropanamide?
The InChIKey is BSTVEHMDBMRTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10(2)15-14(16)8-6-11-5-7-12(17-3)13(9-11)18-4/h5,7,9-10H,6,8H2,1-4H3,(H,15,16).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-propan-2-ylpropanamide?
3-(3,4-dimethoxyphenyl)-N-propan-2-ylpropanamide has a molecular weight of 251.33 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 19220709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).