N-[4-[[2-(3-methoxyanilino)acetyl]amino]phenyl]-3-methylbenzamide

C23H23N3O3 — CID 54814544

IUPACN-[4-[[2-(3-methoxyanilino)acetyl]amino]phenyl]-3-methylbenzamide
SMILESCOc1cccc(NCC(=O)Nc2ccc(NC(=O)c3cccc(C)c3)cc2)c1
InChIInChI=1S/C23H23N3O3/c1-16-5-3-6-17(13-16)23(28)26-19-11-9-18(10-12-19)25-22(27)15-24-20-7-4-8-21(14-20)29-2/h3-14,24H,15H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyGWFHNQOFQMSAPR-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.31
Rot. Bonds7

About N-[4-[[2-(3-methoxyanilino)acetyl]amino]phenyl]-3-methylbenzamide

N-[4-[[2-(3-methoxyanilino)acetyl]amino]phenyl]-3-methylbenzamide (PubChem CID 54814544) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[4-[[2-(3-methoxyanilino)acetyl]amino]phenyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[4-[[2-(3-methoxyanilino)acetyl]amino]phenyl]-3-methylbenzamide
PubChem CID54814544
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC NameN-[4-[[2-(3-methoxyanilino)acetyl]amino]phenyl]-3-methylbenzamide
SMILESCOc1cccc(NCC(=O)Nc2ccc(NC(=O)c3cccc(C)c3)cc2)c1
InChIInChI=1S/C23H23N3O3/c1-16-5-3-6-17(13-16)23(28)26-19-11-9-18(10-12-19)25-22(27)15-24-20-7-4-8-21(14-20)29-2/h3-14,24H,15H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyGWFHNQOFQMSAPR-UHFFFAOYSA-N
XLogP4.31
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[2-(3-methoxyanilino)acetyl]amino]phenyl]benzamide
CID 54814514
N-[2-(3-methoxyanilino)-2-oxoethyl]-3-methylbenzamide
CID 4679398
N-[4-[[2-[3-(2-ethoxyethoxy)anilino]acetyl]amino]phenyl]-3-methylbenzamide
CID 54827331
3-methyl-N-[4-[[2-[3-(propan-2-ylcarbamoyl)anilino]acetyl]amino]phenyl]benzamide
CID 54833495
3-methyl-N-[4-[[2-(4-propan-2-yloxyanilino)acetyl]amino]phenyl]benzamide
CID 54822485
3-[[2-(3-methoxyanilino)acetyl]amino]benzamide
CID 54814576
N-[4-[[2-(4-bromoanilino)-2-oxoethyl]amino]phenyl]-3-methylbenzamide
CID 54840309
N-[4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835583
N-(4-cyanophenyl)-2-(3-methoxyanilino)acetamide
CID 39381074
3-N-(3-methoxyphenyl)-1-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057620
3-methyl-N-[4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]phenyl]benzamide
CID 54840407
3-methyl-N-[4-[[2-[3-(3-phenylpropanoylamino)anilino]acetyl]amino]phenyl]benzamide
CID 54837534

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(3-methoxyanilino)acetyl]amino]phenyl]-3-methylbenzamide?
The IUPAC name of N-[4-[[2-(3-methoxyanilino)acetyl]amino]phenyl]-3-methylbenzamide (CID 54814544) is N-[4-[[2-(3-methoxyanilino)acetyl]amino]phenyl]-3-methylbenzamide.
What is the SMILES notation for N-[4-[[2-(3-methoxyanilino)acetyl]amino]phenyl]-3-methylbenzamide?
The canonical SMILES for N-[4-[[2-(3-methoxyanilino)acetyl]amino]phenyl]-3-methylbenzamide is COc1cccc(NCC(=O)Nc2ccc(NC(=O)c3cccc(C)c3)cc2)c1.
What is the InChIKey of N-[4-[[2-(3-methoxyanilino)acetyl]amino]phenyl]-3-methylbenzamide?
The InChIKey is GWFHNQOFQMSAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-16-5-3-6-17(13-16)23(28)26-19-11-9-18(10-12-19)25-22(27)15-24-20-7-4-8-21(14-20)29-2/h3-14,24H,15H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of N-[4-[[2-(3-methoxyanilino)acetyl]amino]phenyl]-3-methylbenzamide?
N-[4-[[2-(3-methoxyanilino)acetyl]amino]phenyl]-3-methylbenzamide has a molecular weight of 389.46 g/mol, XLogP of 4.31, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(3-methoxyanilino)acetyl]amino]phenyl]-3-methylbenzamide is sourced from PubChem (CID 54814544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).