N-(4-propan-2-ylcyclohexyl)pyrrolidine-1-carboxamide

C14H26N2O — CID 58688945

IUPACN-(4-propan-2-ylcyclohexyl)pyrrolidine-1-carboxamide
SMILESCC(C)C1CCC(NC(=O)N2CCCC2)CC1
InChIInChI=1S/C14H26N2O/c1-11(2)12-5-7-13(8-6-12)15-14(17)16-9-3-4-10-16/h11-13H,3-10H2,1-2H3,(H,15,17)
InChIKeyXNIPEALWOBRKRH-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.01
Rot. Bonds2

About N-(4-propan-2-ylcyclohexyl)pyrrolidine-1-carboxamide

N-(4-propan-2-ylcyclohexyl)pyrrolidine-1-carboxamide (PubChem CID 58688945) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is N-(4-propan-2-ylcyclohexyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-propan-2-ylcyclohexyl)pyrrolidine-1-carboxamide
PubChem CID58688945
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC NameN-(4-propan-2-ylcyclohexyl)pyrrolidine-1-carboxamide
SMILESCC(C)C1CCC(NC(=O)N2CCCC2)CC1
InChIInChI=1S/C14H26N2O/c1-11(2)12-5-7-13(8-6-12)15-14(17)16-9-3-4-10-16/h11-13H,3-10H2,1-2H3,(H,15,17)
InChIKeyXNIPEALWOBRKRH-UHFFFAOYSA-N
XLogP3.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-ylcyclohexyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(4-propan-2-ylcyclohexyl)pyrrolidine-1-carboxamide (CID 58688945) is N-(4-propan-2-ylcyclohexyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(4-propan-2-ylcyclohexyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(4-propan-2-ylcyclohexyl)pyrrolidine-1-carboxamide is CC(C)C1CCC(NC(=O)N2CCCC2)CC1.
What is the InChIKey of N-(4-propan-2-ylcyclohexyl)pyrrolidine-1-carboxamide?
The InChIKey is XNIPEALWOBRKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-11(2)12-5-7-13(8-6-12)15-14(17)16-9-3-4-10-16/h11-13H,3-10H2,1-2H3,(H,15,17).
What are the key properties of N-(4-propan-2-ylcyclohexyl)pyrrolidine-1-carboxamide?
N-(4-propan-2-ylcyclohexyl)pyrrolidine-1-carboxamide has a molecular weight of 238.37 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-ylcyclohexyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 58688945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).