4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-pyrrolidin-3-ylbenzamide

C20H23N3O4 — CID 119452649

IUPAC4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-pyrrolidin-3-ylbenzamide
SMILESCOc1cccc(NC(=O)COc2ccc(C(=O)NC3CCNC3)cc2)c1
InChIInChI=1S/C20H23N3O4/c1-26-18-4-2-3-15(11-18)22-19(24)13-27-17-7-5-14(6-8-17)20(25)23-16-9-10-21-12-16/h2-8,11,16,21H,9-10,12-13H2,1H3,(H,22,24)(H,23,25)
InChIKeyMZUBRQAPIMBQNY-UHFFFAOYSA-N
MW369.42 g/mol
LogP1.80
Rot. Bonds7

About 4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-pyrrolidin-3-ylbenzamide

4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-pyrrolidin-3-ylbenzamide (PubChem CID 119452649) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound Name4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-pyrrolidin-3-ylbenzamide
PubChem CID119452649
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-pyrrolidin-3-ylbenzamide
SMILESCOc1cccc(NC(=O)COc2ccc(C(=O)NC3CCNC3)cc2)c1
InChIInChI=1S/C20H23N3O4/c1-26-18-4-2-3-15(11-18)22-19(24)13-27-17-7-5-14(6-8-17)20(25)23-16-9-10-21-12-16/h2-8,11,16,21H,9-10,12-13H2,1H3,(H,22,24)(H,23,25)
InChIKeyMZUBRQAPIMBQNY-UHFFFAOYSA-N
XLogP1.80
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide;hydrochloride
CID 120945470
1-(3-methoxyphenyl)-3-pyrrolidin-3-ylurea
CID 61310941
[2-(cyclopentylamino)-2-oxoethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate
CID 16539000
N-(3-methoxyphenyl)-2-pyrrolidin-3-yloxyacetamide
CID 62327564
4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-(2-phenoxyethyl)benzamide
CID 27758187
2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119451413
2-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenoxy]-N-(3-methoxyphenyl)acetamide
CID 55343241
4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 154775568
N-cyclohexyl-4-[[2-(4-methoxyphenoxy)acetyl]amino]benzamide
CID 28587702
2-(4-tert-butylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 710366
N-(2-amino-1-cyclopropylethyl)-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide;hydrochloride
CID 119616067
2-[4-(azocane-1-carbonyl)phenoxy]-N-(3-methoxyphenyl)acetamide
CID 51145616

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-pyrrolidin-3-ylbenzamide?
The IUPAC name of 4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-pyrrolidin-3-ylbenzamide (CID 119452649) is 4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for 4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-pyrrolidin-3-ylbenzamide?
The canonical SMILES for 4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-pyrrolidin-3-ylbenzamide is COc1cccc(NC(=O)COc2ccc(C(=O)NC3CCNC3)cc2)c1.
What is the InChIKey of 4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-pyrrolidin-3-ylbenzamide?
The InChIKey is MZUBRQAPIMBQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-26-18-4-2-3-15(11-18)22-19(24)13-27-17-7-5-14(6-8-17)20(25)23-16-9-10-21-12-16/h2-8,11,16,21H,9-10,12-13H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-pyrrolidin-3-ylbenzamide?
4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-pyrrolidin-3-ylbenzamide has a molecular weight of 369.42 g/mol, XLogP of 1.80, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 119452649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).