3-(2-aminoethyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide

C14H21N3O — CID 114802216

IUPAC3-(2-aminoethyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(CCN)C2)cc1
InChIInChI=1S/C14H21N3O/c1-11-2-4-13(5-3-11)16-14(18)17-9-7-12(10-17)6-8-15/h2-5,12H,6-10,15H2,1H3,(H,16,18)
InChIKeySCBOYRDAKYHQIQ-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.20
Rot. Bonds3

About 3-(2-aminoethyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide

3-(2-aminoethyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide (PubChem CID 114802216) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-(2-aminoethyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(2-aminoethyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide
PubChem CID114802216
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name3-(2-aminoethyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(CCN)C2)cc1
InChIInChI=1S/C14H21N3O/c1-11-2-4-13(5-3-11)16-14(18)17-9-7-12(10-17)6-8-15/h2-5,12H,6-10,15H2,1H3,(H,16,18)
InChIKeySCBOYRDAKYHQIQ-UHFFFAOYSA-N
XLogP2.20
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-aminoethyl)-N-(4-fluorophenyl)pyrrolidine-1-carboxamide
CID 114802239
3-(2-aminoethyl)-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 63766361
4-(methylaminomethyl)-N-(4-methylphenyl)piperidine-1-carboxamide
CID 63248764
4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 92731351
(3R)-N-(4-methylphenyl)-3-(3-oxo-3-piperidin-1-ylpropyl)piperidine-1-carboxamide
CID 95056824
4-(2-aminoethyl)-N-(3-fluoro-4-methylphenyl)piperidine-1-carboxamide;dihydrochloride
CID 155823381
4-[(4-methylcyclohexyl)methyl]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 20930657
4-(azepan-1-ylmethyl)-N-(4-methylphenyl)piperidine-1-carboxamide
CID 20907581
N-(4-methylphenyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide
CID 53033008
N-(4-methylphenyl)-4-[2-(2-methylpropanoylamino)ethyl]piperidine-1-carboxamide
CID 91903591
1-N,4-N-bis(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 4055899
4-(hydroxymethyl)-N-[4-(4-methylphenoxy)phenyl]piperidine-1-carboxamide
CID 48832439

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-(2-aminoethyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide (CID 114802216) is 3-(2-aminoethyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(2-aminoethyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(2-aminoethyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide is Cc1ccc(NC(=O)N2CCC(CCN)C2)cc1.
What is the InChIKey of 3-(2-aminoethyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide?
The InChIKey is SCBOYRDAKYHQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11-2-4-13(5-3-11)16-14(18)17-9-7-12(10-17)6-8-15/h2-5,12H,6-10,15H2,1H3,(H,16,18).
What are the key properties of 3-(2-aminoethyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide?
3-(2-aminoethyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 114802216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).