N-[2-(benzylcarbamoyl)phenyl]-2,4-dimethoxybenzamide

C23H22N2O4 — CID 3662059

IUPACN-[2-(benzylcarbamoyl)phenyl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccccc2)c(OC)c1
InChIInChI=1S/C23H22N2O4/c1-28-17-12-13-19(21(14-17)29-2)23(27)25-20-11-7-6-10-18(20)22(26)24-15-16-8-4-3-5-9-16/h3-14H,15H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyLNXKORUKEIWKMU-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.89
Rot. Bonds7

About N-[2-(benzylcarbamoyl)phenyl]-2,4-dimethoxybenzamide

N-[2-(benzylcarbamoyl)phenyl]-2,4-dimethoxybenzamide (PubChem CID 3662059) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-[2-(benzylcarbamoyl)phenyl]-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(benzylcarbamoyl)phenyl]-2,4-dimethoxybenzamide
PubChem CID3662059
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC NameN-[2-(benzylcarbamoyl)phenyl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccccc2)c(OC)c1
InChIInChI=1S/C23H22N2O4/c1-28-17-12-13-19(21(14-17)29-2)23(27)25-20-11-7-6-10-18(20)22(26)24-15-16-8-4-3-5-9-16/h3-14H,15H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyLNXKORUKEIWKMU-UHFFFAOYSA-N
XLogP3.89
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-hydroxyphenyl)methyl]-2,4-dimethoxybenzamide
CID 61018179
2-acetamido-N-[(4-methoxyphenyl)methyl]benzamide
CID 3350357
ethyl 2-[(2,4-dimethoxybenzoyl)amino]benzoate
CID 5149682
2-[(2-bromobenzoyl)amino]-N-[(4-methoxyphenyl)methyl]benzamide
CID 26549860
N-benzyl-2-[(2-methoxybenzoyl)carbamothioylamino]benzamide
CID 4930662
N-(2-iodophenyl)-2,4-dimethoxybenzamide
CID 3340182
2-benzamido-N-[(3,5-dimethoxyphenyl)methyl]benzamide
CID 55576558
2-butoxy-4-methoxy-N-[2-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 69361719
N-[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 17440926
2,4-dimethoxy-N-(2-phenylphenyl)benzamide
CID 26727528
N-benzyl-4-bromo-2-methoxybenzamide
CID 22346886
N-[2-[(2,4-dimethoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 1026612

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylcarbamoyl)phenyl]-2,4-dimethoxybenzamide?
The IUPAC name of N-[2-(benzylcarbamoyl)phenyl]-2,4-dimethoxybenzamide (CID 3662059) is N-[2-(benzylcarbamoyl)phenyl]-2,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-(benzylcarbamoyl)phenyl]-2,4-dimethoxybenzamide?
The canonical SMILES for N-[2-(benzylcarbamoyl)phenyl]-2,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccccc2)c(OC)c1.
What is the InChIKey of N-[2-(benzylcarbamoyl)phenyl]-2,4-dimethoxybenzamide?
The InChIKey is LNXKORUKEIWKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-28-17-12-13-19(21(14-17)29-2)23(27)25-20-11-7-6-10-18(20)22(26)24-15-16-8-4-3-5-9-16/h3-14H,15H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N-[2-(benzylcarbamoyl)phenyl]-2,4-dimethoxybenzamide?
N-[2-(benzylcarbamoyl)phenyl]-2,4-dimethoxybenzamide has a molecular weight of 390.44 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylcarbamoyl)phenyl]-2,4-dimethoxybenzamide is sourced from PubChem (CID 3662059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).