1-(cyclohexylmethyl)-N-(oxan-4-yl)pyrrole-3-carboxamide

C17H26N2O2 — CID 123530997

IUPAC1-(cyclohexylmethyl)-N-(oxan-4-yl)pyrrole-3-carboxamide
SMILESO=C(NC1CCOCC1)c1ccn(CC2CCCCC2)c1
InChIInChI=1S/C17H26N2O2/c20-17(18-16-7-10-21-11-8-16)15-6-9-19(13-15)12-14-4-2-1-3-5-14/h6,9,13-14,16H,1-5,7-8,10-12H2,(H,18,20)
InChIKeyYQRQHCJDKFIRJW-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.98
Rot. Bonds4

About 1-(cyclohexylmethyl)-N-(oxan-4-yl)pyrrole-3-carboxamide

1-(cyclohexylmethyl)-N-(oxan-4-yl)pyrrole-3-carboxamide (PubChem CID 123530997) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-N-(oxan-4-yl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-N-(oxan-4-yl)pyrrole-3-carboxamide
PubChem CID123530997
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-(cyclohexylmethyl)-N-(oxan-4-yl)pyrrole-3-carboxamide
SMILESO=C(NC1CCOCC1)c1ccn(CC2CCCCC2)c1
InChIInChI=1S/C17H26N2O2/c20-17(18-16-7-10-21-11-8-16)15-6-9-19(13-15)12-14-4-2-1-3-5-14/h6,9,13-14,16H,1-5,7-8,10-12H2,(H,18,20)
InChIKeyYQRQHCJDKFIRJW-UHFFFAOYSA-N
XLogP2.98
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-N-(oxan-4-yl)pyrrole-3-carboxamide?
The IUPAC name of 1-(cyclohexylmethyl)-N-(oxan-4-yl)pyrrole-3-carboxamide (CID 123530997) is 1-(cyclohexylmethyl)-N-(oxan-4-yl)pyrrole-3-carboxamide.
What is the SMILES notation for 1-(cyclohexylmethyl)-N-(oxan-4-yl)pyrrole-3-carboxamide?
The canonical SMILES for 1-(cyclohexylmethyl)-N-(oxan-4-yl)pyrrole-3-carboxamide is O=C(NC1CCOCC1)c1ccn(CC2CCCCC2)c1.
What is the InChIKey of 1-(cyclohexylmethyl)-N-(oxan-4-yl)pyrrole-3-carboxamide?
The InChIKey is YQRQHCJDKFIRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c20-17(18-16-7-10-21-11-8-16)15-6-9-19(13-15)12-14-4-2-1-3-5-14/h6,9,13-14,16H,1-5,7-8,10-12H2,(H,18,20).
What are the key properties of 1-(cyclohexylmethyl)-N-(oxan-4-yl)pyrrole-3-carboxamide?
1-(cyclohexylmethyl)-N-(oxan-4-yl)pyrrole-3-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-N-(oxan-4-yl)pyrrole-3-carboxamide is sourced from PubChem (CID 123530997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).