N-ethyl-3-[(2-pyrrolidin-2-ylacetyl)amino]benzamide

C15H21N3O2 — CID 61364037

IUPACN-ethyl-3-[(2-pyrrolidin-2-ylacetyl)amino]benzamide
SMILESCCNC(=O)c1cccc(NC(=O)CC2CCCN2)c1
InChIInChI=1S/C15H21N3O2/c1-2-16-15(20)11-5-3-6-13(9-11)18-14(19)10-12-7-4-8-17-12/h3,5-6,9,12,17H,2,4,7-8,10H2,1H3,(H,16,20)(H,18,19)
InChIKeyZRCZYJWCKGHEAD-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.52
Rot. Bonds5

About N-ethyl-3-[(2-pyrrolidin-2-ylacetyl)amino]benzamide

N-ethyl-3-[(2-pyrrolidin-2-ylacetyl)amino]benzamide (PubChem CID 61364037) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-ethyl-3-[(2-pyrrolidin-2-ylacetyl)amino]benzamide.

Molecular Properties

Compound NameN-ethyl-3-[(2-pyrrolidin-2-ylacetyl)amino]benzamide
PubChem CID61364037
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-ethyl-3-[(2-pyrrolidin-2-ylacetyl)amino]benzamide
SMILESCCNC(=O)c1cccc(NC(=O)CC2CCCN2)c1
InChIInChI=1S/C15H21N3O2/c1-2-16-15(20)11-5-3-6-13(9-11)18-14(19)10-12-7-4-8-17-12/h3,5-6,9,12,17H,2,4,7-8,10H2,1H3,(H,16,20)(H,18,19)
InChIKeyZRCZYJWCKGHEAD-UHFFFAOYSA-N
XLogP1.52
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-[(2-thiomorpholin-3-ylacetyl)amino]benzamide
CID 66421428
N-(3-methylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670441
N-(3-fluorophenyl)-2-pyrrolidin-2-ylacetamide
CID 61371784
N-[3-(carbamoylamino)phenyl]-2-pyrrolidin-2-ylacetamide
CID 61364636
N-(3-acetamidophenyl)-2-piperidin-2-ylacetamide
CID 43151365
N-(3-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide
CID 61363868
N-(3-propan-2-ylphenyl)-2-pyrrolidin-2-ylacetamide
CID 61372360
2-methyl-N-[3-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]propanamide
CID 61366011
3-[(2-methylcyclopropanecarbonyl)amino]-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119513177
N-phenyl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide
CID 119756453
N-(3-acetylphenyl)-3-piperidin-2-ylpropanamide
CID 62210606
2-pyrrolidin-2-yl-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 61365428

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(2-pyrrolidin-2-ylacetyl)amino]benzamide?
The IUPAC name of N-ethyl-3-[(2-pyrrolidin-2-ylacetyl)amino]benzamide (CID 61364037) is N-ethyl-3-[(2-pyrrolidin-2-ylacetyl)amino]benzamide.
What is the SMILES notation for N-ethyl-3-[(2-pyrrolidin-2-ylacetyl)amino]benzamide?
The canonical SMILES for N-ethyl-3-[(2-pyrrolidin-2-ylacetyl)amino]benzamide is CCNC(=O)c1cccc(NC(=O)CC2CCCN2)c1.
What is the InChIKey of N-ethyl-3-[(2-pyrrolidin-2-ylacetyl)amino]benzamide?
The InChIKey is ZRCZYJWCKGHEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-2-16-15(20)11-5-3-6-13(9-11)18-14(19)10-12-7-4-8-17-12/h3,5-6,9,12,17H,2,4,7-8,10H2,1H3,(H,16,20)(H,18,19).
What are the key properties of N-ethyl-3-[(2-pyrrolidin-2-ylacetyl)amino]benzamide?
N-ethyl-3-[(2-pyrrolidin-2-ylacetyl)amino]benzamide has a molecular weight of 275.35 g/mol, XLogP of 1.52, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(2-pyrrolidin-2-ylacetyl)amino]benzamide is sourced from PubChem (CID 61364037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).