N-[(3-aminophenyl)methyl]-N-propylpyrrolidine-1-carboxamide

C15H23N3O — CID 79160910

IUPACN-[(3-aminophenyl)methyl]-N-propylpyrrolidine-1-carboxamide
SMILESCCCN(Cc1cccc(N)c1)C(=O)N1CCCC1
InChIInChI=1S/C15H23N3O/c1-2-8-18(15(19)17-9-3-4-10-17)12-13-6-5-7-14(16)11-13/h5-7,11H,2-4,8-10,12,16H2,1H3
InChIKeyADWHBNNGVDGNPU-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.70
Rot. Bonds4

About N-[(3-aminophenyl)methyl]-N-propylpyrrolidine-1-carboxamide

N-[(3-aminophenyl)methyl]-N-propylpyrrolidine-1-carboxamide (PubChem CID 79160910) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-N-propylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-N-propylpyrrolidine-1-carboxamide
PubChem CID79160910
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-[(3-aminophenyl)methyl]-N-propylpyrrolidine-1-carboxamide
SMILESCCCN(Cc1cccc(N)c1)C(=O)N1CCCC1
InChIInChI=1S/C15H23N3O/c1-2-8-18(15(19)17-9-3-4-10-17)12-13-6-5-7-14(16)11-13/h5-7,11H,2-4,8-10,12,16H2,1H3
InChIKeyADWHBNNGVDGNPU-UHFFFAOYSA-N
XLogP2.70
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-[(3-aminophenyl)methyl]-N-propylcarbamate
CID 43459708
N-[(3-aminophenyl)methyl]-N-propylcyclohexanecarboxamide
CID 43459677
N-[(3-aminophenyl)methyl]-2-phenyl-N-propylacetamide
CID 43459651
N-[(3-aminophenyl)methyl]-N-propylpentanamide
CID 43383967
2-[(3-aminophenyl)methyl-methylamino]-1-pyrrolidin-1-ylethanone
CID 43383734
N-[(3-aminophenyl)methyl]-2-hydroxy-N-propylbenzamide
CID 43459683
N-[(3-aminophenyl)methyl]-4-chloro-N-propylbenzamide
CID 43459684
N-[(3-aminophenyl)methyl]-N-propylfuran-3-carboxamide
CID 43459665
N-[(3-aminophenyl)methyl]-1-methyl-N-propylpyrazole-4-carboxamide
CID 43459645
N-[(3-aminophenyl)methyl]-2-methoxy-2-methyl-N-propylpropanamide
CID 103017662
2-[(3-aminophenyl)methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetamide
CID 43461225
N-(3-aminopropyl)-N-benzylazepane-1-carboxamide
CID 107366335

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-N-propylpyrrolidine-1-carboxamide?
The IUPAC name of N-[(3-aminophenyl)methyl]-N-propylpyrrolidine-1-carboxamide (CID 79160910) is N-[(3-aminophenyl)methyl]-N-propylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-N-propylpyrrolidine-1-carboxamide?
The canonical SMILES for N-[(3-aminophenyl)methyl]-N-propylpyrrolidine-1-carboxamide is CCCN(Cc1cccc(N)c1)C(=O)N1CCCC1.
What is the InChIKey of N-[(3-aminophenyl)methyl]-N-propylpyrrolidine-1-carboxamide?
The InChIKey is ADWHBNNGVDGNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-2-8-18(15(19)17-9-3-4-10-17)12-13-6-5-7-14(16)11-13/h5-7,11H,2-4,8-10,12,16H2,1H3.
What are the key properties of N-[(3-aminophenyl)methyl]-N-propylpyrrolidine-1-carboxamide?
N-[(3-aminophenyl)methyl]-N-propylpyrrolidine-1-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-N-propylpyrrolidine-1-carboxamide is sourced from PubChem (CID 79160910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).