2-(cyclohexylmethyl)-N-(oxan-4-yl)pyrrolidine-1-carboxamide

C17H30N2O2 — CID 71881607

IUPAC2-(cyclohexylmethyl)-N-(oxan-4-yl)pyrrolidine-1-carboxamide
SMILESO=C(NC1CCOCC1)N1CCCC1CC1CCCCC1
InChIInChI=1S/C17H30N2O2/c20-17(18-15-8-11-21-12-9-15)19-10-4-7-16(19)13-14-5-2-1-3-6-14/h14-16H,1-13H2,(H,18,20)
InChIKeyLDRNJQDPEUERBN-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.31
Rot. Bonds3

About 2-(cyclohexylmethyl)-N-(oxan-4-yl)pyrrolidine-1-carboxamide

2-(cyclohexylmethyl)-N-(oxan-4-yl)pyrrolidine-1-carboxamide (PubChem CID 71881607) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-N-(oxan-4-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-N-(oxan-4-yl)pyrrolidine-1-carboxamide
PubChem CID71881607
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name2-(cyclohexylmethyl)-N-(oxan-4-yl)pyrrolidine-1-carboxamide
SMILESO=C(NC1CCOCC1)N1CCCC1CC1CCCCC1
InChIInChI=1S/C17H30N2O2/c20-17(18-15-8-11-21-12-9-15)19-10-4-7-16(19)13-14-5-2-1-3-6-14/h14-16H,1-13H2,(H,18,20)
InChIKeyLDRNJQDPEUERBN-UHFFFAOYSA-N
XLogP3.31
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)-N-(oxan-4-yl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-(cyclohexylmethyl)-N-(oxan-4-yl)pyrrolidine-1-carboxamide (CID 71881607) is 2-(cyclohexylmethyl)-N-(oxan-4-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(cyclohexylmethyl)-N-(oxan-4-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(cyclohexylmethyl)-N-(oxan-4-yl)pyrrolidine-1-carboxamide is O=C(NC1CCOCC1)N1CCCC1CC1CCCCC1.
What is the InChIKey of 2-(cyclohexylmethyl)-N-(oxan-4-yl)pyrrolidine-1-carboxamide?
The InChIKey is LDRNJQDPEUERBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c20-17(18-15-8-11-21-12-9-15)19-10-4-7-16(19)13-14-5-2-1-3-6-14/h14-16H,1-13H2,(H,18,20).
What are the key properties of 2-(cyclohexylmethyl)-N-(oxan-4-yl)pyrrolidine-1-carboxamide?
2-(cyclohexylmethyl)-N-(oxan-4-yl)pyrrolidine-1-carboxamide has a molecular weight of 294.44 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-N-(oxan-4-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 71881607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).