1,4-dimethyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]pyrrole-3-carboxamide

C19H32N2O — CID 58475111

IUPAC1,4-dimethyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]pyrrole-3-carboxamide
SMILESCc1cn(C)cc1C(=O)NC1CCCCC1C(C)CC(C)C
InChIInChI=1S/C19H32N2O/c1-13(2)10-14(3)16-8-6-7-9-18(16)20-19(22)17-12-21(5)11-15(17)4/h11-14,16,18H,6-10H2,1-5H3,(H,20,22)
InChIKeyGGTNNJDSDAISFF-UHFFFAOYSA-N
MW304.48 g/mol
LogP4.30
Rot. Bonds5

About 1,4-dimethyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]pyrrole-3-carboxamide

1,4-dimethyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]pyrrole-3-carboxamide (PubChem CID 58475111) has the molecular formula C19H32N2O and a molecular weight of 304.48 g/mol. Its IUPAC name is 1,4-dimethyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name1,4-dimethyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]pyrrole-3-carboxamide
PubChem CID58475111
Molecular FormulaC19H32N2O
Molecular Weight304.48 g/mol
Exact Mass304.25
IUPAC Name1,4-dimethyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]pyrrole-3-carboxamide
SMILESCc1cn(C)cc1C(=O)NC1CCCCC1C(C)CC(C)C
InChIInChI=1S/C19H32N2O/c1-13(2)10-14(3)16-8-6-7-9-18(16)20-19(22)17-12-21(5)11-15(17)4/h11-14,16,18H,6-10H2,1-5H3,(H,20,22)
InChIKeyGGTNNJDSDAISFF-UHFFFAOYSA-N
XLogP4.30
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]pyrrole-3-carboxamide?
The IUPAC name of 1,4-dimethyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]pyrrole-3-carboxamide (CID 58475111) is 1,4-dimethyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]pyrrole-3-carboxamide.
What is the SMILES notation for 1,4-dimethyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]pyrrole-3-carboxamide?
The canonical SMILES for 1,4-dimethyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]pyrrole-3-carboxamide is Cc1cn(C)cc1C(=O)NC1CCCCC1C(C)CC(C)C.
What is the InChIKey of 1,4-dimethyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]pyrrole-3-carboxamide?
The InChIKey is GGTNNJDSDAISFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O/c1-13(2)10-14(3)16-8-6-7-9-18(16)20-19(22)17-12-21(5)11-15(17)4/h11-14,16,18H,6-10H2,1-5H3,(H,20,22).
What are the key properties of 1,4-dimethyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]pyrrole-3-carboxamide?
1,4-dimethyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]pyrrole-3-carboxamide has a molecular weight of 304.48 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]pyrrole-3-carboxamide is sourced from PubChem (CID 58475111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).