N-(3-aminophenyl)-3-pyrrolidin-3-ylpropanamide

C13H19N3O — CID 69171945

IUPACN-(3-aminophenyl)-3-pyrrolidin-3-ylpropanamide
SMILESNc1cccc(NC(=O)CCC2CCNC2)c1
InChIInChI=1S/C13H19N3O/c14-11-2-1-3-12(8-11)16-13(17)5-4-10-6-7-15-9-10/h1-3,8,10,15H,4-7,9,14H2,(H,16,17)
InChIKeyUYFGETQZMONORD-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.60
Rot. Bonds4

About N-(3-aminophenyl)-3-pyrrolidin-3-ylpropanamide

N-(3-aminophenyl)-3-pyrrolidin-3-ylpropanamide (PubChem CID 69171945) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is N-(3-aminophenyl)-3-pyrrolidin-3-ylpropanamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-3-pyrrolidin-3-ylpropanamide
PubChem CID69171945
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC NameN-(3-aminophenyl)-3-pyrrolidin-3-ylpropanamide
SMILESNc1cccc(NC(=O)CCC2CCNC2)c1
InChIInChI=1S/C13H19N3O/c14-11-2-1-3-12(8-11)16-13(17)5-4-10-6-7-15-9-10/h1-3,8,10,15H,4-7,9,14H2,(H,16,17)
InChIKeyUYFGETQZMONORD-UHFFFAOYSA-N
XLogP1.60
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[3-(difluoromethoxy)phenyl]-3-piperidin-4-ylpropanamide
CID 62210707
N-(4-bromo-3,5-dimethylphenyl)-3-pyrrolidin-3-ylpropanamide
CID 107574186
N-(2-bromo-3-chlorophenyl)-3-pyrrolidin-3-ylpropanamide
CID 103479444
3-(carbamoylamino)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534577
(E)-3-[3-[(2-pyrrolidin-3-ylacetyl)amino]phenyl]prop-2-enoic acid
CID 115339792
N-(3,5-difluorophenyl)-3-piperidin-4-ylpropanamide
CID 62210143
3-piperidin-4-yl-N-quinoxalin-6-ylpropanamide
CID 62211768
N-(3-bromo-4-fluorophenyl)-3-piperidin-4-ylpropanamide
CID 115870611
N-(3-chlorophenyl)-2-(pyrrolidin-3-ylmethoxy)acetamide
CID 62372283
N-(2-methyl-4-pyridinyl)-3-piperidin-3-ylpropanamide
CID 79241024
N-(3,4-dicyanophenyl)-3-piperidin-3-ylpropanamide
CID 107790601
N-(2,6-dichlorophenyl)-3-piperidin-4-ylpropanamide
CID 65468978

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-3-pyrrolidin-3-ylpropanamide?
The IUPAC name of N-(3-aminophenyl)-3-pyrrolidin-3-ylpropanamide (CID 69171945) is N-(3-aminophenyl)-3-pyrrolidin-3-ylpropanamide.
What is the SMILES notation for N-(3-aminophenyl)-3-pyrrolidin-3-ylpropanamide?
The canonical SMILES for N-(3-aminophenyl)-3-pyrrolidin-3-ylpropanamide is Nc1cccc(NC(=O)CCC2CCNC2)c1.
What is the InChIKey of N-(3-aminophenyl)-3-pyrrolidin-3-ylpropanamide?
The InChIKey is UYFGETQZMONORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c14-11-2-1-3-12(8-11)16-13(17)5-4-10-6-7-15-9-10/h1-3,8,10,15H,4-7,9,14H2,(H,16,17).
What are the key properties of N-(3-aminophenyl)-3-pyrrolidin-3-ylpropanamide?
N-(3-aminophenyl)-3-pyrrolidin-3-ylpropanamide has a molecular weight of 233.31 g/mol, XLogP of 1.60, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-3-pyrrolidin-3-ylpropanamide is sourced from PubChem (CID 69171945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).