3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)propanamide

C17H25NO4 — CID 110407527

IUPAC3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CC(c1ccc(OC)c(OC)c1)C1CC1
InChIInChI=1S/C17H25NO4/c1-20-9-8-18-17(19)11-14(12-4-5-12)13-6-7-15(21-2)16(10-13)22-3/h6-7,10,12,14H,4-5,8-9,11H2,1-3H3,(H,18,19)
InChIKeyIDFYORCMKJQPBK-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.35
Rot. Bonds9

About 3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)propanamide

3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)propanamide (PubChem CID 110407527) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is 3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)propanamide
PubChem CID110407527
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Name3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CC(c1ccc(OC)c(OC)c1)C1CC1
InChIInChI=1S/C17H25NO4/c1-20-9-8-18-17(19)11-14(12-4-5-12)13-6-7-15(21-2)16(10-13)22-3/h6-7,10,12,14H,4-5,8-9,11H2,1-3H3,(H,18,19)
InChIKeyIDFYORCMKJQPBK-UHFFFAOYSA-N
XLogP2.35
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(3-methylbutyl)propanamide
CID 110415573
3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(2-methylsulfonylethyl)propanamide
CID 110425232
3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-methoxypropanamide
CID 110611785
3-cyclopropyl-N,3-bis(3,4-dimethoxyphenyl)propanamide
CID 110423126
3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(3-pyridin-3-ylpropyl)propanamide
CID 110408995
3-cyclopropyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide
CID 110297293
3-cyclopropyl-3-(4-methoxyphenyl)-N-(3-methoxypropyl)propanamide
CID 110297343
3-cyclopropyl-N-(2-hydroxy-2-methylpropyl)-3-(4-methoxy-3-methylphenyl)propanamide
CID 110306820
3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-[4-(dimethylamino)phenyl]propanamide
CID 110424660
3-cyclopropyl-3-(4-methoxy-3-methylphenyl)-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]propanamide
CID 110310845
3-cyclopropyl-3-(4-methoxy-3-methylphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 110297458
3-cyclopropyl-N-[3-(dimethylamino)propyl]-3-(3,4-dimethylphenyl)propanamide
CID 110408201

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)propanamide (CID 110407527) is 3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)propanamide is COCCNC(=O)CC(c1ccc(OC)c(OC)c1)C1CC1.
What is the InChIKey of 3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)propanamide?
The InChIKey is IDFYORCMKJQPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4/c1-20-9-8-18-17(19)11-14(12-4-5-12)13-6-7-15(21-2)16(10-13)22-3/h6-7,10,12,14H,4-5,8-9,11H2,1-3H3,(H,18,19).
What are the key properties of 3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)propanamide?
3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)propanamide has a molecular weight of 307.39 g/mol, XLogP of 2.35, 9 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-(2-methoxyethyl)propanamide is sourced from PubChem (CID 110407527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).