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

C20H23N3O3 — CID 4882068

IUPACN-(2-methoxyphenyl)-4-[(2-pyrrolidin-1-ylacetyl)amino]benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)CN2CCCC2)cc1
InChIInChI=1S/C20H23N3O3/c1-26-18-7-3-2-6-17(18)22-20(25)15-8-10-16(11-9-15)21-19(24)14-23-12-4-5-13-23/h2-3,6-11H,4-5,12-14H2,1H3,(H,21,24)(H,22,25)
InChIKeyBFNVKTUJXVIHRP-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.98
Rot. Bonds6

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

N-(2-methoxyphenyl)-4-[(2-pyrrolidin-1-ylacetyl)amino]benzamide (PubChem CID 4882068) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-[(2-pyrrolidin-1-ylacetyl)amino]benzamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-[(2-pyrrolidin-1-ylacetyl)amino]benzamide
PubChem CID4882068
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-(2-methoxyphenyl)-4-[(2-pyrrolidin-1-ylacetyl)amino]benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)CN2CCCC2)cc1
InChIInChI=1S/C20H23N3O3/c1-26-18-7-3-2-6-17(18)22-20(25)15-8-10-16(11-9-15)21-19(24)14-23-12-4-5-13-23/h2-3,6-11H,4-5,12-14H2,1H3,(H,21,24)(H,22,25)
InChIKeyBFNVKTUJXVIHRP-UHFFFAOYSA-N
XLogP2.98
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-[(2-pyrrolidin-1-ylacetyl)amino]benzamide?
The IUPAC name of N-(2-methoxyphenyl)-4-[(2-pyrrolidin-1-ylacetyl)amino]benzamide (CID 4882068) is N-(2-methoxyphenyl)-4-[(2-pyrrolidin-1-ylacetyl)amino]benzamide.
What is the SMILES notation for N-(2-methoxyphenyl)-4-[(2-pyrrolidin-1-ylacetyl)amino]benzamide?
The canonical SMILES for N-(2-methoxyphenyl)-4-[(2-pyrrolidin-1-ylacetyl)amino]benzamide is COc1ccccc1NC(=O)c1ccc(NC(=O)CN2CCCC2)cc1.
What is the InChIKey of N-(2-methoxyphenyl)-4-[(2-pyrrolidin-1-ylacetyl)amino]benzamide?
The InChIKey is BFNVKTUJXVIHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-26-18-7-3-2-6-17(18)22-20(25)15-8-10-16(11-9-15)21-19(24)14-23-12-4-5-13-23/h2-3,6-11H,4-5,12-14H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-(2-methoxyphenyl)-4-[(2-pyrrolidin-1-ylacetyl)amino]benzamide?
N-(2-methoxyphenyl)-4-[(2-pyrrolidin-1-ylacetyl)amino]benzamide has a molecular weight of 353.42 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-[(2-pyrrolidin-1-ylacetyl)amino]benzamide is sourced from PubChem (CID 4882068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).