3-cyclopropyl-N-(3,4-dimethoxyphenyl)-N-methyl-3-phenylpropanamide

C21H25NO3 — CID 110618626

IUPAC3-cyclopropyl-N-(3,4-dimethoxyphenyl)-N-methyl-3-phenylpropanamide
SMILESCOc1ccc(N(C)C(=O)CC(c2ccccc2)C2CC2)cc1OC
InChIInChI=1S/C21H25NO3/c1-22(17-11-12-19(24-2)20(13-17)25-3)21(23)14-18(16-9-10-16)15-7-5-4-6-8-15/h4-8,11-13,16,18H,9-10,14H2,1-3H3
InChIKeyKCODWOCVLOFDLT-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.25
Rot. Bonds7

About 3-cyclopropyl-N-(3,4-dimethoxyphenyl)-N-methyl-3-phenylpropanamide

3-cyclopropyl-N-(3,4-dimethoxyphenyl)-N-methyl-3-phenylpropanamide (PubChem CID 110618626) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-cyclopropyl-N-(3,4-dimethoxyphenyl)-N-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name3-cyclopropyl-N-(3,4-dimethoxyphenyl)-N-methyl-3-phenylpropanamide
PubChem CID110618626
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name3-cyclopropyl-N-(3,4-dimethoxyphenyl)-N-methyl-3-phenylpropanamide
SMILESCOc1ccc(N(C)C(=O)CC(c2ccccc2)C2CC2)cc1OC
InChIInChI=1S/C21H25NO3/c1-22(17-11-12-19(24-2)20(13-17)25-3)21(23)14-18(16-9-10-16)15-7-5-4-6-8-15/h4-8,11-13,16,18H,9-10,14H2,1-3H3
InChIKeyKCODWOCVLOFDLT-UHFFFAOYSA-N
XLogP4.25
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide
CID 110297293
3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-[4-(dimethylamino)phenyl]propanamide
CID 110424660
methyl 3-(3,4-dimethoxy-N-methylanilino)-3-oxopropanoate
CID 115174204
N-[2-(3,4-dimethoxy-N-methylanilino)-2-oxoethyl]benzamide
CID 110667730
3-(benzenesulfonyl)-N-(3,4-dimethoxyphenyl)-N-methylpropanamide
CID 110422910
N-(3,4-dimethoxyphenyl)-N,3,3-trimethylbutanamide
CID 110425453
3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-methoxypropanamide
CID 110611785
3-cyclopropyl-N-[2-(2,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide
CID 110615936
3-cyclopropyl-N,3-bis(3,4-dimethoxyphenyl)propanamide
CID 110423126
(3,4-dimethoxyphenyl)-methylcarbamothioic S-acid
CID 88695990
(3S)-N-(3,4-dimethoxyphenyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 94798691
methyl N-[3-cyclopropyl-3-(3,4-dimethoxyphenyl)propyl]-N-methylcarbamate
CID 110357612

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-(3,4-dimethoxyphenyl)-N-methyl-3-phenylpropanamide?
The IUPAC name of 3-cyclopropyl-N-(3,4-dimethoxyphenyl)-N-methyl-3-phenylpropanamide (CID 110618626) is 3-cyclopropyl-N-(3,4-dimethoxyphenyl)-N-methyl-3-phenylpropanamide.
What is the SMILES notation for 3-cyclopropyl-N-(3,4-dimethoxyphenyl)-N-methyl-3-phenylpropanamide?
The canonical SMILES for 3-cyclopropyl-N-(3,4-dimethoxyphenyl)-N-methyl-3-phenylpropanamide is COc1ccc(N(C)C(=O)CC(c2ccccc2)C2CC2)cc1OC.
What is the InChIKey of 3-cyclopropyl-N-(3,4-dimethoxyphenyl)-N-methyl-3-phenylpropanamide?
The InChIKey is KCODWOCVLOFDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-22(17-11-12-19(24-2)20(13-17)25-3)21(23)14-18(16-9-10-16)15-7-5-4-6-8-15/h4-8,11-13,16,18H,9-10,14H2,1-3H3.
What are the key properties of 3-cyclopropyl-N-(3,4-dimethoxyphenyl)-N-methyl-3-phenylpropanamide?
3-cyclopropyl-N-(3,4-dimethoxyphenyl)-N-methyl-3-phenylpropanamide has a molecular weight of 339.44 g/mol, XLogP of 4.25, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-(3,4-dimethoxyphenyl)-N-methyl-3-phenylpropanamide is sourced from PubChem (CID 110618626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).