N-cyclopropyl-3-[4-(3-methoxybenzoyl)phenyl]-4-methylbenzamide

C25H23NO3 — CID 142750926

IUPACN-cyclopropyl-3-[4-(3-methoxybenzoyl)phenyl]-4-methylbenzamide
SMILESCOc1cccc(C(=O)c2ccc(-c3cc(C(=O)NC4CC4)ccc3C)cc2)c1
InChIInChI=1S/C25H23NO3/c1-16-6-7-20(25(28)26-21-12-13-21)15-23(16)17-8-10-18(11-9-17)24(27)19-4-3-5-22(14-19)29-2/h3-11,14-15,21H,12-13H2,1-2H3,(H,26,28)
InChIKeyOWQQJUURKGIQTE-UHFFFAOYSA-N
MW385.46 g/mol
LogP4.79
Rot. Bonds6

About N-cyclopropyl-3-[4-(3-methoxybenzoyl)phenyl]-4-methylbenzamide

N-cyclopropyl-3-[4-(3-methoxybenzoyl)phenyl]-4-methylbenzamide (PubChem CID 142750926) has the molecular formula C25H23NO3 and a molecular weight of 385.46 g/mol. Its IUPAC name is N-cyclopropyl-3-[4-(3-methoxybenzoyl)phenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[4-(3-methoxybenzoyl)phenyl]-4-methylbenzamide
PubChem CID142750926
Molecular FormulaC25H23NO3
Molecular Weight385.46 g/mol
Exact Mass385.17
IUPAC NameN-cyclopropyl-3-[4-(3-methoxybenzoyl)phenyl]-4-methylbenzamide
SMILESCOc1cccc(C(=O)c2ccc(-c3cc(C(=O)NC4CC4)ccc3C)cc2)c1
InChIInChI=1S/C25H23NO3/c1-16-6-7-20(25(28)26-21-12-13-21)15-23(16)17-8-10-18(11-9-17)24(27)19-4-3-5-22(14-19)29-2/h3-11,14-15,21H,12-13H2,1-2H3,(H,26,28)
InChIKeyOWQQJUURKGIQTE-UHFFFAOYSA-N
XLogP4.79
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-3-methoxybenzamide
CID 900156
methyl 4-[(3-methoxybenzoyl)amino]cyclohexane-1-carboxylate
CID 115617221
N-(4-cyanocyclohexyl)-3-methoxybenzamide
CID 115270167
3-methoxy-N-[1-(4-methylbenzoyl)piperidin-4-yl]benzamide
CID 108550302
N-cyclopropyl-3-[4-(2-hydroxy-2-methylpropanoyl)phenyl]-4-methylbenzamide
CID 156904443
N-cyclopropyl-4-methyl-3-[4-methyl-3-(methyliminomethyl)phenyl]benzamide
CID 142855177
N-cyclopropyl-3-[(4-methoxy-2-methylphenyl)methylamino]benzamide
CID 167899942
3-[4-(acetamidomethyl)phenyl]-N-cyclopropyl-4-methylbenzamide;azane
CID 142826121
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methoxybenzamide
CID 110819864
3-methoxy-N-[1-(2-methoxyethyl)piperidin-4-yl]benzamide
CID 71784695
N-cyclopropyl-3-[4-[3-(2-hydroxyethoxy)cyclopentanecarbonyl]phenyl]-4-methylbenzamide
CID 156904452
N-cyclopropyl-4-methyl-3-[4-[(4-methylpiperazin-1-yl)carbamoyl]phenyl]benzamide
CID 69315179

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[4-(3-methoxybenzoyl)phenyl]-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-3-[4-(3-methoxybenzoyl)phenyl]-4-methylbenzamide (CID 142750926) is N-cyclopropyl-3-[4-(3-methoxybenzoyl)phenyl]-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-[4-(3-methoxybenzoyl)phenyl]-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-3-[4-(3-methoxybenzoyl)phenyl]-4-methylbenzamide is COc1cccc(C(=O)c2ccc(-c3cc(C(=O)NC4CC4)ccc3C)cc2)c1.
What is the InChIKey of N-cyclopropyl-3-[4-(3-methoxybenzoyl)phenyl]-4-methylbenzamide?
The InChIKey is OWQQJUURKGIQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO3/c1-16-6-7-20(25(28)26-21-12-13-21)15-23(16)17-8-10-18(11-9-17)24(27)19-4-3-5-22(14-19)29-2/h3-11,14-15,21H,12-13H2,1-2H3,(H,26,28).
What are the key properties of N-cyclopropyl-3-[4-(3-methoxybenzoyl)phenyl]-4-methylbenzamide?
N-cyclopropyl-3-[4-(3-methoxybenzoyl)phenyl]-4-methylbenzamide has a molecular weight of 385.46 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[4-(3-methoxybenzoyl)phenyl]-4-methylbenzamide is sourced from PubChem (CID 142750926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).