N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-anilinobenzamide

C22H21N3O4 — CID 55843901

IUPACN-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-anilinobenzamide
SMILESCOc1ccc(NC(=O)c2ccccc2Nc2ccccc2)cc1OCC(N)=O
InChIInChI=1S/C22H21N3O4/c1-28-19-12-11-16(13-20(19)29-14-21(23)26)25-22(27)17-9-5-6-10-18(17)24-15-7-3-2-4-8-15/h2-13,24H,14H2,1H3,(H2,23,26)(H,25,27)
InChIKeyYGVBEDUUWXUSSD-UHFFFAOYSA-N
MW391.43 g/mol
LogP3.56
Rot. Bonds8

About N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-anilinobenzamide

N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-anilinobenzamide (PubChem CID 55843901) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-anilinobenzamide.

Molecular Properties

Compound NameN-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-anilinobenzamide
PubChem CID55843901
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC NameN-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-anilinobenzamide
SMILESCOc1ccc(NC(=O)c2ccccc2Nc2ccccc2)cc1OCC(N)=O
InChIInChI=1S/C22H21N3O4/c1-28-19-12-11-16(13-20(19)29-14-21(23)26)25-22(27)17-9-5-6-10-18(17)24-15-7-3-2-4-8-15/h2-13,24H,14H2,1H3,(H2,23,26)(H,25,27)
InChIKeyYGVBEDUUWXUSSD-UHFFFAOYSA-N
XLogP3.56
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2,4,5-trimethoxybenzamide
CID 55744161
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 47057728
2-(2-amino-2-oxoethoxy)-N-[4-(2-methoxyphenoxy)phenyl]benzamide
CID 24660239
2-(2-amino-2-oxoethoxy)-N-(2-methoxy-5-methylphenyl)benzamide
CID 9453585
2-(2-amino-2-oxoethoxy)-N-(4-benzamido-2,5-dimethoxyphenyl)benzamide
CID 24524390
N-(2-anilinophenyl)-2-(2-methoxyanilino)benzamide
CID 23906809
2-[(3,4-dimethoxyphenyl)methylamino]-N-phenylbenzamide
CID 15008953
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-1H-indole-6-carboxamide
CID 51087336
N-(3,4-dimethoxyphenyl)-2-hydroxybenzamide
CID 18105958
2-hydrazinyl-N-(4-methoxy-3-methylphenyl)benzamide
CID 62236085
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxamide
CID 55783973
N-(4-acetylphenyl)-2-(2-amino-2-oxoethoxy)benzamide
CID 34795429

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-anilinobenzamide?
The IUPAC name of N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-anilinobenzamide (CID 55843901) is N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-anilinobenzamide.
What is the SMILES notation for N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-anilinobenzamide?
The canonical SMILES for N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-anilinobenzamide is COc1ccc(NC(=O)c2ccccc2Nc2ccccc2)cc1OCC(N)=O.
What is the InChIKey of N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-anilinobenzamide?
The InChIKey is YGVBEDUUWXUSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-28-19-12-11-16(13-20(19)29-14-21(23)26)25-22(27)17-9-5-6-10-18(17)24-15-7-3-2-4-8-15/h2-13,24H,14H2,1H3,(H2,23,26)(H,25,27).
What are the key properties of N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-anilinobenzamide?
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-anilinobenzamide has a molecular weight of 391.43 g/mol, XLogP of 3.56, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-anilinobenzamide is sourced from PubChem (CID 55843901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).