N-[3-(ethylaminomethyl)phenyl]-5-oxopyrrolidine-2-carboxamide;hydrochloride

C14H20ClN3O2 — CID 119438155

IUPACN-[3-(ethylaminomethyl)phenyl]-5-oxopyrrolidine-2-carboxamide;hydrochloride
SMILESCCNCc1cccc(NC(=O)C2CCC(=O)N2)c1.Cl
InChIInChI=1S/C14H19N3O2.ClH/c1-2-15-9-10-4-3-5-11(8-10)16-14(19)12-6-7-13(18)17-12;/h3-5,8,12,15H,2,6-7,9H2,1H3,(H,16,19)(H,17,18);1H
InChIKeyIOKRZXMGTOHTPA-UHFFFAOYSA-N
MW297.79 g/mol
LogP1.43
Rot. Bonds5

About N-[3-(ethylaminomethyl)phenyl]-5-oxopyrrolidine-2-carboxamide;hydrochloride

N-[3-(ethylaminomethyl)phenyl]-5-oxopyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119438155) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is N-[3-(ethylaminomethyl)phenyl]-5-oxopyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(ethylaminomethyl)phenyl]-5-oxopyrrolidine-2-carboxamide;hydrochloride
PubChem CID119438155
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC NameN-[3-(ethylaminomethyl)phenyl]-5-oxopyrrolidine-2-carboxamide;hydrochloride
SMILESCCNCc1cccc(NC(=O)C2CCC(=O)N2)c1.Cl
InChIInChI=1S/C14H19N3O2.ClH/c1-2-15-9-10-4-3-5-11(8-10)16-14(19)12-6-7-13(18)17-12;/h3-5,8,12,15H,2,6-7,9H2,1H3,(H,16,19)(H,17,18);1H
InChIKeyIOKRZXMGTOHTPA-UHFFFAOYSA-N
XLogP1.43
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[3-(aminomethyl)phenyl]-5-oxopyrrolidine-2-carboxamide
CID 95038599
2-[3-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]phenyl]acetic acid
CID 103803780
N-(3-aminophenyl)-5-oxopyrrolidine-2-carboxamide
CID 110482254
ethyl 3-[(5-oxopyrrolidine-2-carbonyl)amino]benzoate
CID 110462157
N-[3-(ethylaminomethyl)phenyl]-1-methylpiperidine-4-carboxamide;dihydrochloride
CID 119438632
N-[3-(ethylaminomethyl)phenyl]oxane-4-carboxamide
CID 43601115
N-(3-methylsulfonylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110793299
N-[3-(ethylaminomethyl)phenyl]acetamide
CID 43601248
N-[3-(ethylaminomethyl)phenyl]-2,2-dimethylcyclohexane-1-carboxamide
CID 107176079
1-acetyl-N-[3-(ethylaminomethyl)phenyl]piperidine-3-carboxamide
CID 119438060
3-[3-[(5-oxopyrrolidine-2-carbonyl)amino]phenyl]prop-2-enoic acid
CID 76907392
N-[3-(ethylaminomethyl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 119438350

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylaminomethyl)phenyl]-5-oxopyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-(ethylaminomethyl)phenyl]-5-oxopyrrolidine-2-carboxamide;hydrochloride (CID 119438155) is N-[3-(ethylaminomethyl)phenyl]-5-oxopyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(ethylaminomethyl)phenyl]-5-oxopyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(ethylaminomethyl)phenyl]-5-oxopyrrolidine-2-carboxamide;hydrochloride is CCNCc1cccc(NC(=O)C2CCC(=O)N2)c1.Cl.
What is the InChIKey of N-[3-(ethylaminomethyl)phenyl]-5-oxopyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is IOKRZXMGTOHTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2.ClH/c1-2-15-9-10-4-3-5-11(8-10)16-14(19)12-6-7-13(18)17-12;/h3-5,8,12,15H,2,6-7,9H2,1H3,(H,16,19)(H,17,18);1H.
What are the key properties of N-[3-(ethylaminomethyl)phenyl]-5-oxopyrrolidine-2-carboxamide;hydrochloride?
N-[3-(ethylaminomethyl)phenyl]-5-oxopyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 297.79 g/mol, XLogP of 1.43, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylaminomethyl)phenyl]-5-oxopyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119438155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).