1-cycloheptyl-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide

C17H30N2O2 — CID 3385814

IUPAC1-cycloheptyl-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)CCNC(=O)C1CC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C17H30N2O2/c1-13(2)9-10-18-17(21)14-11-16(20)19(12-14)15-7-5-3-4-6-8-15/h13-15H,3-12H2,1-2H3,(H,18,21)
InChIKeyDMNNVWZAACEAGE-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.72
Rot. Bonds5

About 1-cycloheptyl-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide

1-cycloheptyl-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 3385814) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-cycloheptyl-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cycloheptyl-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID3385814
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name1-cycloheptyl-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)CCNC(=O)C1CC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C17H30N2O2/c1-13(2)9-10-18-17(21)14-11-16(20)19(12-14)15-7-5-3-4-6-8-15/h13-15H,3-12H2,1-2H3,(H,18,21)
InChIKeyDMNNVWZAACEAGE-UHFFFAOYSA-N
XLogP2.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 3236135
N-(3-azepan-1-ylpropyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 3244152
N-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 5016732
1-cyclooctyl-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 3240722
1-butyl-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 3245728
1-sec-butyl-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 3239387
N-isopropyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 3243347
1-cyclohexyl-N-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 3243531
1-cycloheptyl-N-[3-(4-methylpiperidin-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 3236747
3-Pyrrolidinecarboxamide, 1-cyclohexyl-N-(1-methylpropyl)-5-oxo-
CID 3401597
1-cyclohexyl-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 4324334
1-cyclopentyl-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 4531782

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-cycloheptyl-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide (CID 3385814) is 1-cycloheptyl-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cycloheptyl-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-cycloheptyl-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide is CC(C)CCNC(=O)C1CC(=O)N(C2CCCCCC2)C1.
What is the InChIKey of 1-cycloheptyl-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is DMNNVWZAACEAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-13(2)9-10-18-17(21)14-11-16(20)19(12-14)15-7-5-3-4-6-8-15/h13-15H,3-12H2,1-2H3,(H,18,21).
What are the key properties of 1-cycloheptyl-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide?
1-cycloheptyl-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 294.44 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 3385814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).