4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide

C23H23N3O3 — CID 54838445

IUPAC4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
SMILESCOc1cccc(NC(=O)CNc2ccc(C(=O)N(C)c3ccccc3)cc2)c1
InChIInChI=1S/C23H23N3O3/c1-26(20-8-4-3-5-9-20)23(28)17-11-13-18(14-12-17)24-16-22(27)25-19-7-6-10-21(15-19)29-2/h3-15,24H,16H2,1-2H3,(H,25,27)
InChIKeyDGENSGRXJGQLQK-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.02
Rot. Bonds7

About 4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide

4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide (PubChem CID 54838445) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide.

Molecular Properties

Compound Name4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
PubChem CID54838445
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
SMILESCOc1cccc(NC(=O)CNc2ccc(C(=O)N(C)c3ccccc3)cc2)c1
InChIInChI=1S/C23H23N3O3/c1-26(20-8-4-3-5-9-20)23(28)17-11-13-18(14-12-17)24-16-22(27)25-19-7-6-10-21(15-19)29-2/h3-15,24H,16H2,1-2H3,(H,25,27)
InChIKeyDGENSGRXJGQLQK-UHFFFAOYSA-N
XLogP4.02
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-[[2-[3-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]-N-phenylbenzamide
CID 54838448
N-methyl-4-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 54838200
4-[[2-(3-butoxyanilino)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 54824843
3-[[2-(3-ethoxyanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54837384
4-[[2-(2,5-dimethoxyanilino)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 54814112
N-methyl-4-[[2-[3-(2-methylprop-2-enoxy)anilino]acetyl]amino]-N-phenylbenzamide
CID 54825738
N-methyl-4-[[2-oxo-2-[3-(3-phenylpropanoylamino)anilino]ethyl]amino]-N-phenylbenzamide
CID 54838477
4-[[2-(4-iodoanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54838604
N-[4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835583
4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54840781
3-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54837465
N-[3-[[2-(3-methoxyanilino)acetyl]amino]phenyl]benzamide
CID 54814514

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide?
The IUPAC name of 4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide (CID 54838445) is 4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide.
What is the SMILES notation for 4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide?
The canonical SMILES for 4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide is COc1cccc(NC(=O)CNc2ccc(C(=O)N(C)c3ccccc3)cc2)c1.
What is the InChIKey of 4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide?
The InChIKey is DGENSGRXJGQLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-26(20-8-4-3-5-9-20)23(28)17-11-13-18(14-12-17)24-16-22(27)25-19-7-6-10-21(15-19)29-2/h3-15,24H,16H2,1-2H3,(H,25,27).
What are the key properties of 4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide?
4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide has a molecular weight of 389.46 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide is sourced from PubChem (CID 54838445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).