N-[(2,5-dimethoxyphenyl)methyl]-4-(phenylcarbamoylamino)benzamide

C23H23N3O4 — CID 33104762

IUPACN-[(2,5-dimethoxyphenyl)methyl]-4-(phenylcarbamoylamino)benzamide
SMILESCOc1ccc(OC)c(CNC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)c1
InChIInChI=1S/C23H23N3O4/c1-29-20-12-13-21(30-2)17(14-20)15-24-22(27)16-8-10-19(11-9-16)26-23(28)25-18-6-4-3-5-7-18/h3-14H,15H2,1-2H3,(H,24,27)(H2,25,26,28)
InChIKeyOPFFDBWRCAPKNQ-UHFFFAOYSA-N
MW405.45 g/mol
LogP4.28
Rot. Bonds7

About N-[(2,5-dimethoxyphenyl)methyl]-4-(phenylcarbamoylamino)benzamide

N-[(2,5-dimethoxyphenyl)methyl]-4-(phenylcarbamoylamino)benzamide (PubChem CID 33104762) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methyl]-4-(phenylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methyl]-4-(phenylcarbamoylamino)benzamide
PubChem CID33104762
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC NameN-[(2,5-dimethoxyphenyl)methyl]-4-(phenylcarbamoylamino)benzamide
SMILESCOc1ccc(OC)c(CNC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)c1
InChIInChI=1S/C23H23N3O4/c1-29-20-12-13-21(30-2)17(14-20)15-24-22(27)16-8-10-19(11-9-16)26-23(28)25-18-6-4-3-5-7-18/h3-14H,15H2,1-2H3,(H,24,27)(H2,25,26,28)
InChIKeyOPFFDBWRCAPKNQ-UHFFFAOYSA-N
XLogP4.28
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,4-N-bis[(2,5-dimethoxyphenyl)methyl]benzene-1,4-dicarboxamide
CID 46542093
5-N-[(2,5-dimethoxyphenyl)methyl]-2-N-phenyl-1,3,4-thiadiazole-2,5-dicarboxamide
CID 46353994
1-[(2,4-dimethoxyphenyl)methyl]-3-phenylurea
CID 110774912
N-[(2,5-dimethoxyphenyl)methyl]-3-methylbenzamide
CID 33097699
N-[(2,4-dimethoxyphenyl)methyl]-4-phenylbenzamide
CID 46590205
N-[(5-acetamido-2-methoxyphenyl)methyl]-3-methoxybenzamide
CID 110784129
N-benzyl-4-[[2-(2,5-dimethoxyanilino)acetyl]amino]benzamide
CID 54814086
(3R)-N-[(2,5-dimethoxyphenyl)methyl]-6-(phenylcarbamoylamino)-3,4-dihydro-2H-chromene-3-carboxamide
CID 92880598
N-[(5-bromo-2-methoxyphenyl)methyl]benzamide
CID 49172987
N-[(2,5-dimethoxyphenyl)methyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 33101662
N-[3-[(2,5-dimethoxyphenyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 33102267
4-bromo-N-[2-[(2,5-dimethoxyphenyl)methylamino]-2-oxoethyl]benzamide
CID 33108134

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-4-(phenylcarbamoylamino)benzamide?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-4-(phenylcarbamoylamino)benzamide (CID 33104762) is N-[(2,5-dimethoxyphenyl)methyl]-4-(phenylcarbamoylamino)benzamide.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methyl]-4-(phenylcarbamoylamino)benzamide?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methyl]-4-(phenylcarbamoylamino)benzamide is COc1ccc(OC)c(CNC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)c1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methyl]-4-(phenylcarbamoylamino)benzamide?
The InChIKey is OPFFDBWRCAPKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-29-20-12-13-21(30-2)17(14-20)15-24-22(27)16-8-10-19(11-9-16)26-23(28)25-18-6-4-3-5-7-18/h3-14H,15H2,1-2H3,(H,24,27)(H2,25,26,28).
What are the key properties of N-[(2,5-dimethoxyphenyl)methyl]-4-(phenylcarbamoylamino)benzamide?
N-[(2,5-dimethoxyphenyl)methyl]-4-(phenylcarbamoylamino)benzamide has a molecular weight of 405.45 g/mol, XLogP of 4.28, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)methyl]-4-(phenylcarbamoylamino)benzamide is sourced from PubChem (CID 33104762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).