2-[propyl(pyrrolidin-3-yl)amino]benzamide

C14H21N3O — CID 63304357

IUPAC2-[propyl(pyrrolidin-3-yl)amino]benzamide
SMILESCCCN(c1ccccc1C(N)=O)C1CCNC1
InChIInChI=1S/C14H21N3O/c1-2-9-17(11-7-8-16-10-11)13-6-4-3-5-12(13)14(15)18/h3-6,11,16H,2,7-10H2,1H3,(H2,15,18)
InChIKeyRZHYXUHNTBXFMT-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.36
Rot. Bonds5

About 2-[propyl(pyrrolidin-3-yl)amino]benzamide

2-[propyl(pyrrolidin-3-yl)amino]benzamide (PubChem CID 63304357) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[propyl(pyrrolidin-3-yl)amino]benzamide.

Molecular Properties

Compound Name2-[propyl(pyrrolidin-3-yl)amino]benzamide
PubChem CID63304357
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-[propyl(pyrrolidin-3-yl)amino]benzamide
SMILESCCCN(c1ccccc1C(N)=O)C1CCNC1
InChIInChI=1S/C14H21N3O/c1-2-9-17(11-7-8-16-10-11)13-6-4-3-5-12(13)14(15)18/h3-6,11,16H,2,7-10H2,1H3,(H2,15,18)
InChIKeyRZHYXUHNTBXFMT-UHFFFAOYSA-N
XLogP1.36
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-[propyl(pyrrolidin-3-yl)amino]benzamide
CID 63304260
N-(2-ethylsulfonylphenyl)-N-propylpyrrolidin-3-amine
CID 63304180
2-[azetidin-3-yl(propyl)amino]-4-methylbenzamide
CID 66215739
3-[propyl(pyrrolidin-3-yl)amino]pyrazine-2-carboxamide
CID 63304442
N-[2-(difluoromethylsulfonyl)phenyl]-N-propylpyrrolidin-3-amine
CID 63304136
2-[azetidin-3-yl(propyl)amino]-6-fluorobenzamide
CID 79523206
3-chloro-4-[piperidin-3-yl(propyl)amino]benzamide
CID 63636499
2-(2-cyano-N-pyrrolidin-3-ylanilino)acetamide
CID 70202184
methyl 2-[(2-amino-2-oxoethyl)-piperidin-4-ylamino]benzoate
CID 70202731
2-cyclopentyl-N-propyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 68918145
3-methyl-N-propyl-N-pyrrolidin-3-ylquinoxalin-2-amine
CID 63304047
2-phenyl-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119532603

Frequently Asked Questions

What is the IUPAC name of 2-[propyl(pyrrolidin-3-yl)amino]benzamide?
The IUPAC name of 2-[propyl(pyrrolidin-3-yl)amino]benzamide (CID 63304357) is 2-[propyl(pyrrolidin-3-yl)amino]benzamide.
What is the SMILES notation for 2-[propyl(pyrrolidin-3-yl)amino]benzamide?
The canonical SMILES for 2-[propyl(pyrrolidin-3-yl)amino]benzamide is CCCN(c1ccccc1C(N)=O)C1CCNC1.
What is the InChIKey of 2-[propyl(pyrrolidin-3-yl)amino]benzamide?
The InChIKey is RZHYXUHNTBXFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-2-9-17(11-7-8-16-10-11)13-6-4-3-5-12(13)14(15)18/h3-6,11,16H,2,7-10H2,1H3,(H2,15,18).
What are the key properties of 2-[propyl(pyrrolidin-3-yl)amino]benzamide?
2-[propyl(pyrrolidin-3-yl)amino]benzamide has a molecular weight of 247.34 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propyl(pyrrolidin-3-yl)amino]benzamide is sourced from PubChem (CID 63304357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).