3-cyclopropyl-3-(4-methoxy-3-methylphenyl)-N-[(4-methoxyphenyl)methyl]propanamide

C22H27NO3 — CID 110297458

IUPAC3-cyclopropyl-3-(4-methoxy-3-methylphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)CC(c2ccc(OC)c(C)c2)C2CC2)cc1
InChIInChI=1S/C22H27NO3/c1-15-12-18(8-11-21(15)26-3)20(17-6-7-17)13-22(24)23-14-16-4-9-19(25-2)10-5-16/h4-5,8-12,17,20H,6-7,13-14H2,1-3H3,(H,23,24)
InChIKeyVLUKCTFLPVSFQB-UHFFFAOYSA-N
MW353.46 g/mol
LogP4.21
Rot. Bonds8

About 3-cyclopropyl-3-(4-methoxy-3-methylphenyl)-N-[(4-methoxyphenyl)methyl]propanamide

3-cyclopropyl-3-(4-methoxy-3-methylphenyl)-N-[(4-methoxyphenyl)methyl]propanamide (PubChem CID 110297458) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is 3-cyclopropyl-3-(4-methoxy-3-methylphenyl)-N-[(4-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-cyclopropyl-3-(4-methoxy-3-methylphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
PubChem CID110297458
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC Name3-cyclopropyl-3-(4-methoxy-3-methylphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)CC(c2ccc(OC)c(C)c2)C2CC2)cc1
InChIInChI=1S/C22H27NO3/c1-15-12-18(8-11-21(15)26-3)20(17-6-7-17)13-22(24)23-14-16-4-9-19(25-2)10-5-16/h4-5,8-12,17,20H,6-7,13-14H2,1-3H3,(H,23,24)
InChIKeyVLUKCTFLPVSFQB-UHFFFAOYSA-N
XLogP4.21
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-N-(2-hydroxy-2-methylpropyl)-3-(4-methoxy-3-methylphenyl)propanamide
CID 110306820
3-cyclopropyl-N-[2-(diethylamino)propyl]-3-(4-methoxy-3-methylphenyl)propanamide
CID 110301496
3-cyclopropyl-3-(4-methoxy-3-methylphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 110413285
3-cyclopropyl-3-(4-methoxy-3-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide
CID 110312177
3-cyclopropyl-3-(4-methoxy-3-methylphenyl)-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]propanamide
CID 110310845
3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)propanamide
CID 110407527
3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(3-methylbutyl)propanamide
CID 110415573
ethyl 4-[3-cyclopropyl-3-(4-methoxy-3-methylphenyl)propanoyl]piperazine-1-carboxylate
CID 110297471
3-cyclopropyl-3-(4-methoxyphenyl)-N-(3-methoxypropyl)propanamide
CID 110297343
3-cyclopropyl-N-[3-(dimethylamino)propyl]-3-(3,4-dimethylphenyl)propanamide
CID 110408201
3-amino-N-[(4-methoxy-3-methylphenyl)methyl]butanamide
CID 115154159
3-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(2-methylsulfonylethyl)propanamide
CID 110425232

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-(4-methoxy-3-methylphenyl)-N-[(4-methoxyphenyl)methyl]propanamide?
The IUPAC name of 3-cyclopropyl-3-(4-methoxy-3-methylphenyl)-N-[(4-methoxyphenyl)methyl]propanamide (CID 110297458) is 3-cyclopropyl-3-(4-methoxy-3-methylphenyl)-N-[(4-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-cyclopropyl-3-(4-methoxy-3-methylphenyl)-N-[(4-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-cyclopropyl-3-(4-methoxy-3-methylphenyl)-N-[(4-methoxyphenyl)methyl]propanamide is COc1ccc(CNC(=O)CC(c2ccc(OC)c(C)c2)C2CC2)cc1.
What is the InChIKey of 3-cyclopropyl-3-(4-methoxy-3-methylphenyl)-N-[(4-methoxyphenyl)methyl]propanamide?
The InChIKey is VLUKCTFLPVSFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3/c1-15-12-18(8-11-21(15)26-3)20(17-6-7-17)13-22(24)23-14-16-4-9-19(25-2)10-5-16/h4-5,8-12,17,20H,6-7,13-14H2,1-3H3,(H,23,24).
What are the key properties of 3-cyclopropyl-3-(4-methoxy-3-methylphenyl)-N-[(4-methoxyphenyl)methyl]propanamide?
3-cyclopropyl-3-(4-methoxy-3-methylphenyl)-N-[(4-methoxyphenyl)methyl]propanamide has a molecular weight of 353.46 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-(4-methoxy-3-methylphenyl)-N-[(4-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 110297458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).