N-(4-ethoxyphenyl)-2-[(2-pyrrolidin-1-ylacetyl)amino]benzamide

C21H25N3O3 — CID 2552865

IUPACN-(4-ethoxyphenyl)-2-[(2-pyrrolidin-1-ylacetyl)amino]benzamide
SMILESCCOc1ccc(NC(=O)c2ccccc2NC(=O)CN2CCCC2)cc1
InChIInChI=1S/C21H25N3O3/c1-2-27-17-11-9-16(10-12-17)22-21(26)18-7-3-4-8-19(18)23-20(25)15-24-13-5-6-14-24/h3-4,7-12H,2,5-6,13-15H2,1H3,(H,22,26)(H,23,25)
InChIKeyFCRBGIKAELFRDI-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.37
Rot. Bonds7

About N-(4-ethoxyphenyl)-2-[(2-pyrrolidin-1-ylacetyl)amino]benzamide

N-(4-ethoxyphenyl)-2-[(2-pyrrolidin-1-ylacetyl)amino]benzamide (PubChem CID 2552865) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[(2-pyrrolidin-1-ylacetyl)amino]benzamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[(2-pyrrolidin-1-ylacetyl)amino]benzamide
PubChem CID2552865
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-(4-ethoxyphenyl)-2-[(2-pyrrolidin-1-ylacetyl)amino]benzamide
SMILESCCOc1ccc(NC(=O)c2ccccc2NC(=O)CN2CCCC2)cc1
InChIInChI=1S/C21H25N3O3/c1-2-27-17-11-9-16(10-12-17)22-21(26)18-7-3-4-8-19(18)23-20(25)15-24-13-5-6-14-24/h3-4,7-12H,2,5-6,13-15H2,1H3,(H,22,26)(H,23,25)
InChIKeyFCRBGIKAELFRDI-UHFFFAOYSA-N
XLogP3.37
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(4-benzyl-1,4-diazepan-1-yl)acetyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 16618283
ethyl 1-[2-[2-[(4-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxylate
CID 26629566
2-[4-[2-(4-ethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 20970562
N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]-2-methylbenzamide
CID 4941456
2-[[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 8712443
2-[[2-(4-hydroxypiperidin-1-yl)acetyl]amino]-N-phenylbenzamide
CID 31480918
N-(1,3-benzodioxol-5-yl)-2-[(2-pyrrolidin-1-ylacetyl)amino]benzamide
CID 17435797
methyl 2-[(2-piperidin-1-ylacetyl)amino]benzoate
CID 892472
2-amino-N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]benzamide
CID 119946943
N-(4-ethoxyphenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 8544001
2-(azepan-1-yl)-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 54814562
N-(4-ethoxyphenyl)-2-[[2-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 4954400

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[(2-pyrrolidin-1-ylacetyl)amino]benzamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[(2-pyrrolidin-1-ylacetyl)amino]benzamide (CID 2552865) is N-(4-ethoxyphenyl)-2-[(2-pyrrolidin-1-ylacetyl)amino]benzamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[(2-pyrrolidin-1-ylacetyl)amino]benzamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[(2-pyrrolidin-1-ylacetyl)amino]benzamide is CCOc1ccc(NC(=O)c2ccccc2NC(=O)CN2CCCC2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[(2-pyrrolidin-1-ylacetyl)amino]benzamide?
The InChIKey is FCRBGIKAELFRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-2-27-17-11-9-16(10-12-17)22-21(26)18-7-3-4-8-19(18)23-20(25)15-24-13-5-6-14-24/h3-4,7-12H,2,5-6,13-15H2,1H3,(H,22,26)(H,23,25).
What are the key properties of N-(4-ethoxyphenyl)-2-[(2-pyrrolidin-1-ylacetyl)amino]benzamide?
N-(4-ethoxyphenyl)-2-[(2-pyrrolidin-1-ylacetyl)amino]benzamide has a molecular weight of 367.45 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[(2-pyrrolidin-1-ylacetyl)amino]benzamide is sourced from PubChem (CID 2552865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).