3-cyclopropyl-3-(4-methoxyphenyl)-N-(3-methoxypropyl)propanamide

C17H25NO3 — CID 110297343

IUPAC3-cyclopropyl-3-(4-methoxyphenyl)-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)CC(c1ccc(OC)cc1)C1CC1
InChIInChI=1S/C17H25NO3/c1-20-11-3-10-18-17(19)12-16(13-4-5-13)14-6-8-15(21-2)9-7-14/h6-9,13,16H,3-5,10-12H2,1-2H3,(H,18,19)
InChIKeyVABUCJIGXOFSNP-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.73
Rot. Bonds9

About 3-cyclopropyl-3-(4-methoxyphenyl)-N-(3-methoxypropyl)propanamide

3-cyclopropyl-3-(4-methoxyphenyl)-N-(3-methoxypropyl)propanamide (PubChem CID 110297343) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-cyclopropyl-3-(4-methoxyphenyl)-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name3-cyclopropyl-3-(4-methoxyphenyl)-N-(3-methoxypropyl)propanamide
PubChem CID110297343
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name3-cyclopropyl-3-(4-methoxyphenyl)-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)CC(c1ccc(OC)cc1)C1CC1
InChIInChI=1S/C17H25NO3/c1-20-11-3-10-18-17(19)12-16(13-4-5-13)14-6-8-15(21-2)9-7-14/h6-9,13,16H,3-5,10-12H2,1-2H3,(H,18,19)
InChIKeyVABUCJIGXOFSNP-UHFFFAOYSA-N
XLogP2.73
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)propanamide
CID 110407527
(3S)-3-acetamido-3-(4-methoxyphenyl)-N-(3-methoxypropyl)propanamide
CID 32686708
N-(4-acetamidophenyl)-3-cyclopropyl-3-(4-methoxyphenyl)propanamide
CID 110297406
3-cyclopropyl-N-[2-(2,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide
CID 110615936
1,5-di(cyclobutyl)-1,5-bis(4-methoxyphenyl)pentan-3-one
CID 73011547
3-cyclopropyl-N-[4-(dimethylamino)phenyl]-3-(4-methoxyphenyl)propanamide
CID 110297407
3-cyclopropyl-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 110302123
3-cyclopropyl-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-(4-methoxyphenyl)propanamide
CID 110303341
3-cyclopropyl-3-(4-methoxy-3-methylphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 110297458
3-cyclohexyl-3-(4-methoxyphenyl)propanoic acid
CID 82045590
3-cyclopropyl-3-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 110616654
3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(3-methylbutyl)propanamide
CID 110415573

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-(4-methoxyphenyl)-N-(3-methoxypropyl)propanamide?
The IUPAC name of 3-cyclopropyl-3-(4-methoxyphenyl)-N-(3-methoxypropyl)propanamide (CID 110297343) is 3-cyclopropyl-3-(4-methoxyphenyl)-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 3-cyclopropyl-3-(4-methoxyphenyl)-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 3-cyclopropyl-3-(4-methoxyphenyl)-N-(3-methoxypropyl)propanamide is COCCCNC(=O)CC(c1ccc(OC)cc1)C1CC1.
What is the InChIKey of 3-cyclopropyl-3-(4-methoxyphenyl)-N-(3-methoxypropyl)propanamide?
The InChIKey is VABUCJIGXOFSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-20-11-3-10-18-17(19)12-16(13-4-5-13)14-6-8-15(21-2)9-7-14/h6-9,13,16H,3-5,10-12H2,1-2H3,(H,18,19).
What are the key properties of 3-cyclopropyl-3-(4-methoxyphenyl)-N-(3-methoxypropyl)propanamide?
3-cyclopropyl-3-(4-methoxyphenyl)-N-(3-methoxypropyl)propanamide has a molecular weight of 291.39 g/mol, XLogP of 2.73, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-(4-methoxyphenyl)-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 110297343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).