N-[2-(ethylamino)ethyl]-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride

C16H30ClN3O2 — CID 119504992

IUPACN-[2-(ethylamino)ethyl]-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
SMILESCCNCCNC(=O)C1CC(=O)N(C2CCC(C)CC2)C1.Cl
InChIInChI=1S/C16H29N3O2.ClH/c1-3-17-8-9-18-16(21)13-10-15(20)19(11-13)14-6-4-12(2)5-7-14;/h12-14,17H,3-11H2,1-2H3,(H,18,21);1H
InChIKeyGRLQCVZDXWLNQU-UHFFFAOYSA-N
MW331.89 g/mol
LogP1.56
Rot. Bonds6

About N-[2-(ethylamino)ethyl]-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride

N-[2-(ethylamino)ethyl]-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119504992) has the molecular formula C16H30ClN3O2 and a molecular weight of 331.89 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
PubChem CID119504992
Molecular FormulaC16H30ClN3O2
Molecular Weight331.89 g/mol
Exact Mass331.20
IUPAC NameN-[2-(ethylamino)ethyl]-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
SMILESCCNCCNC(=O)C1CC(=O)N(C2CCC(C)CC2)C1.Cl
InChIInChI=1S/C16H29N3O2.ClH/c1-3-17-8-9-18-16(21)13-10-15(20)19(11-13)14-6-4-12(2)5-7-14;/h12-14,17H,3-11H2,1-2H3,(H,18,21);1H
InChIKeyGRLQCVZDXWLNQU-UHFFFAOYSA-N
XLogP1.56
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.89
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]butanoic acid
CID 119170704
(3S)-N-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 7030805
N-(3-amino-2-methylpropyl)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119997130
(3S)-1-cyclopentyl-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 9364638
N-butyl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 3236135
1-cyclopropyl-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 60717522
N-[3-(aminomethyl)pentan-3-yl]-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119568934
1-cyclopropyl-5-oxo-N-[(E)-pent-3-enyl]pyrrolidine-3-carboxamide
CID 115628313
(3S)-1-cyclopropyl-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 94869872
N-(1-aminohexan-2-yl)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
CID 119665181
N-[2-(ethylamino)ethyl]-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide
CID 119506044
1-cyclopropyl-N-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 47022144

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-(ethylamino)ethyl]-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride (CID 119504992) is N-[2-(ethylamino)ethyl]-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(ethylamino)ethyl]-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride is CCNCCNC(=O)C1CC(=O)N(C2CCC(C)CC2)C1.Cl.
What is the InChIKey of N-[2-(ethylamino)ethyl]-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is GRLQCVZDXWLNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2.ClH/c1-3-17-8-9-18-16(21)13-10-15(20)19(11-13)14-6-4-12(2)5-7-14;/h12-14,17H,3-11H2,1-2H3,(H,18,21);1H.
What are the key properties of N-[2-(ethylamino)ethyl]-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride?
N-[2-(ethylamino)ethyl]-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 331.89 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119504992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).