1-cyclohexyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

C17H28N2O4 — CID 110611855

IUPAC1-cyclohexyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC1(CCNC(=O)C2CC(=O)N(C3CCCCC3)C2)OCCO1
InChIInChI=1S/C17H28N2O4/c1-17(22-9-10-23-17)7-8-18-16(21)13-11-15(20)19(12-13)14-5-3-2-4-6-14/h13-14H,2-12H2,1H3,(H,18,21)
InChIKeyNTDZSTCNSDIHDN-UHFFFAOYSA-N
MW324.42 g/mol
LogP1.44
Rot. Bonds5

About 1-cyclohexyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

1-cyclohexyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 110611855) has the molecular formula C17H28N2O4 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-cyclohexyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID110611855
Molecular FormulaC17H28N2O4
Molecular Weight324.42 g/mol
Exact Mass324.20
IUPAC Name1-cyclohexyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC1(CCNC(=O)C2CC(=O)N(C3CCCCC3)C2)OCCO1
InChIInChI=1S/C17H28N2O4/c1-17(22-9-10-23-17)7-8-18-16(21)13-11-15(20)19(12-13)14-5-3-2-4-6-14/h13-14H,2-12H2,1H3,(H,18,21)
InChIKeyNTDZSTCNSDIHDN-UHFFFAOYSA-N
XLogP1.44
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 3236135
1-cyclohexyl-N-(2-methylsulfonylethyl)-5-oxopyrrolidine-3-carboxamide
CID 110612385
(3S)-N-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 7030805
(3S)-1-cyclopentyl-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 9364638
(3R)-1-cyclohexyl-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 7328647
N-[2-(cycloheptylamino)ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 119619473
1-cyclohexyl-N-[2-(methylsulfamoyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 110631722
N-(3-chloropropyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 17081353
1-cyclohexyl-N-(cyclopentylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 110627517
N-[3-(azepan-1-yl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 3244152
1-cyclopentyl-N-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 47021846
(3S)-1-cyclopentyl-5-oxo-N-(3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 7030810

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclohexyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 110611855) is 1-cyclohexyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclohexyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is CC1(CCNC(=O)C2CC(=O)N(C3CCCCC3)C2)OCCO1.
What is the InChIKey of 1-cyclohexyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is NTDZSTCNSDIHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4/c1-17(22-9-10-23-17)7-8-18-16(21)13-11-15(20)19(12-13)14-5-3-2-4-6-14/h13-14H,2-12H2,1H3,(H,18,21).
What are the key properties of 1-cyclohexyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
1-cyclohexyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 324.42 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 110611855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).