3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-methoxypropanamide

C15H21NO4 — CID 110611785

IUPAC3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-methoxypropanamide
SMILESCONC(=O)CC(c1ccc(OC)c(OC)c1)C1CC1
InChIInChI=1S/C15H21NO4/c1-18-13-7-6-11(8-14(13)19-2)12(10-4-5-10)9-15(17)16-20-3/h6-8,10,12H,4-5,9H2,1-3H3,(H,16,17)
InChIKeyICBXLCZGXLNOJG-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.27
Rot. Bonds7

About 3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-methoxypropanamide

3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-methoxypropanamide (PubChem CID 110611785) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-methoxypropanamide.

Molecular Properties

Compound Name3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-methoxypropanamide
PubChem CID110611785
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-methoxypropanamide
SMILESCONC(=O)CC(c1ccc(OC)c(OC)c1)C1CC1
InChIInChI=1S/C15H21NO4/c1-18-13-7-6-11(8-14(13)19-2)12(10-4-5-10)9-15(17)16-20-3/h6-8,10,12H,4-5,9H2,1-3H3,(H,16,17)
InChIKeyICBXLCZGXLNOJG-UHFFFAOYSA-N
XLogP2.27
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-cyclopropyl-N,3-bis(3,4-dimethoxyphenyl)propanamide
CID 110423126
3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)propanamide
CID 110407527
3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(3-methylbutyl)propanamide
CID 110415573
3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(2-methylsulfonylethyl)propanamide
CID 110425232
3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-[4-(dimethylamino)phenyl]propanamide
CID 110424660
methyl N-[3-cyclopropyl-3-(3,4-dimethoxyphenyl)propyl]-N-methylcarbamate
CID 110357612
3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(3-pyridin-3-ylpropyl)propanamide
CID 110408995
3-cyclopropyl-N-(2-hydroxy-2-methylpropyl)-3-(4-methoxy-3-methylphenyl)propanamide
CID 110306820
3-cyclopropyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide
CID 110297293
3-cyclopropyl-3-(3-methoxy-4-propan-2-ylphenyl)propanoic acid
CID 117410585
3-cyclopropyl-3-(4-methoxy-3-methylphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 110297458
3-(3-ethoxy-4-methoxyphenyl)-N-methoxy-3-(3-oxo-1,2-dihydroisoindol-1-yl)propanamide
CID 87559322

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-methoxypropanamide?
The IUPAC name of 3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-methoxypropanamide (CID 110611785) is 3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-methoxypropanamide.
What is the SMILES notation for 3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-methoxypropanamide?
The canonical SMILES for 3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-methoxypropanamide is CONC(=O)CC(c1ccc(OC)c(OC)c1)C1CC1.
What is the InChIKey of 3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-methoxypropanamide?
The InChIKey is ICBXLCZGXLNOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-18-13-7-6-11(8-14(13)19-2)12(10-4-5-10)9-15(17)16-20-3/h6-8,10,12H,4-5,9H2,1-3H3,(H,16,17).
What are the key properties of 3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-methoxypropanamide?
3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-methoxypropanamide has a molecular weight of 279.34 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-methoxypropanamide is sourced from PubChem (CID 110611785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).