1-cyclohexyl-N-(3-ethoxypropyl)-5-oxopyrrolidine-2-carboxamide

C16H28N2O3 — CID 5151180

IUPAC1-cyclohexyl-N-(3-ethoxypropyl)-5-oxopyrrolidine-2-carboxamide
SMILESCCOCCCNC(=O)C1CCC(=O)N1C1CCCCC1
InChIInChI=1S/C16H28N2O3/c1-2-21-12-6-11-17-16(20)14-9-10-15(19)18(14)13-7-4-3-5-8-13/h13-14H,2-12H2,1H3,(H,17,20)
InChIKeyXWZNMBQUPNQFQX-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.85
Rot. Bonds7

About 1-cyclohexyl-N-(3-ethoxypropyl)-5-oxopyrrolidine-2-carboxamide

1-cyclohexyl-N-(3-ethoxypropyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 5151180) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-cyclohexyl-N-(3-ethoxypropyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N-(3-ethoxypropyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID5151180
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name1-cyclohexyl-N-(3-ethoxypropyl)-5-oxopyrrolidine-2-carboxamide
SMILESCCOCCCNC(=O)C1CCC(=O)N1C1CCCCC1
InChIInChI=1S/C16H28N2O3/c1-2-21-12-6-11-17-16(20)14-9-10-15(19)18(14)13-7-4-3-5-8-13/h13-14H,2-12H2,1H3,(H,17,20)
InChIKeyXWZNMBQUPNQFQX-UHFFFAOYSA-N
XLogP1.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopentyl-N-[2-(3,4-diethoxyphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 122176507
(3S,7aR)-N-(3-ethoxypropyl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 94812225
1-cyclopentyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-5-oxopyrrolidine-2-carboxamide
CID 5307425
N-(3-ethoxypropyl)azepane-2-carboxamide
CID 64562798
N-(3-ethoxypropyl)azocane-2-carboxamide
CID 114240040
(2S)-1-cyclopentyl-5-oxopyrrolidine-2-carboxylic acid
CID 67459886
cis-(1S,3R)-1-N,3-N-bis(3-ethoxypropyl)cyclohexane-1,3-dicarboxamide
CID 94820992
5-oxo-1-propan-2-yl-N-(3-propan-2-yloxypropyl)pyrrolidine-2-carboxamide
CID 3243254
N-(cyclohexylmethyl)-2-(3-ethoxypropylamino)acetamide
CID 3226695
N-(3-cyclohexyloxypropyl)-2-ethoxyacetamide
CID 60668714
(3S)-1-butyl-N-(3-ethoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 9399516
1-(4-bromophenyl)sulfonyl-N-(3-ethoxypropyl)piperidine-2-carboxamide
CID 24619962

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-(3-ethoxypropyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of 1-cyclohexyl-N-(3-ethoxypropyl)-5-oxopyrrolidine-2-carboxamide (CID 5151180) is 1-cyclohexyl-N-(3-ethoxypropyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N-(3-ethoxypropyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for 1-cyclohexyl-N-(3-ethoxypropyl)-5-oxopyrrolidine-2-carboxamide is CCOCCCNC(=O)C1CCC(=O)N1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-(3-ethoxypropyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is XWZNMBQUPNQFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-2-21-12-6-11-17-16(20)14-9-10-15(19)18(14)13-7-4-3-5-8-13/h13-14H,2-12H2,1H3,(H,17,20).
What are the key properties of 1-cyclohexyl-N-(3-ethoxypropyl)-5-oxopyrrolidine-2-carboxamide?
1-cyclohexyl-N-(3-ethoxypropyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 296.41 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-(3-ethoxypropyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 5151180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).