N-[1-(2-oxoethylcarbamoyl)cyclohexyl]-1H-pyrrole-2-carboxamide;propane

C17H27N3O3 — CID 143504752

IUPACN-[1-(2-oxoethylcarbamoyl)cyclohexyl]-1H-pyrrole-2-carboxamide;propane
SMILESCCC.O=CCNC(=O)C1(NC(=O)c2ccc[nH]2)CCCCC1
InChIInChI=1S/C14H19N3O3.C3H8/c18-10-9-16-13(20)14(6-2-1-3-7-14)17-12(19)11-5-4-8-15-11;1-3-2/h4-5,8,10,15H,1-3,6-7,9H2,(H,16,20)(H,17,19);3H2,1-2H3
InChIKeyHCQADBAKYKSNFV-UHFFFAOYSA-N
MW321.42 g/mol
LogP2.18
Rot. Bonds5

About N-[1-(2-oxoethylcarbamoyl)cyclohexyl]-1H-pyrrole-2-carboxamide;propane

N-[1-(2-oxoethylcarbamoyl)cyclohexyl]-1H-pyrrole-2-carboxamide;propane (PubChem CID 143504752) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is N-[1-(2-oxoethylcarbamoyl)cyclohexyl]-1H-pyrrole-2-carboxamide;propane.

Molecular Properties

Compound NameN-[1-(2-oxoethylcarbamoyl)cyclohexyl]-1H-pyrrole-2-carboxamide;propane
PubChem CID143504752
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC NameN-[1-(2-oxoethylcarbamoyl)cyclohexyl]-1H-pyrrole-2-carboxamide;propane
SMILESCCC.O=CCNC(=O)C1(NC(=O)c2ccc[nH]2)CCCCC1
InChIInChI=1S/C14H19N3O3.C3H8/c18-10-9-16-13(20)14(6-2-1-3-7-14)17-12(19)11-5-4-8-15-11;1-3-2/h4-5,8,10,15H,1-3,6-7,9H2,(H,16,20)(H,17,19);3H2,1-2H3
InChIKeyHCQADBAKYKSNFV-UHFFFAOYSA-N
XLogP2.18
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-oxoethylcarbamoyl)cyclohexyl]-1H-pyrrole-2-carboxamide;propane?
The IUPAC name of N-[1-(2-oxoethylcarbamoyl)cyclohexyl]-1H-pyrrole-2-carboxamide;propane (CID 143504752) is N-[1-(2-oxoethylcarbamoyl)cyclohexyl]-1H-pyrrole-2-carboxamide;propane.
What is the SMILES notation for N-[1-(2-oxoethylcarbamoyl)cyclohexyl]-1H-pyrrole-2-carboxamide;propane?
The canonical SMILES for N-[1-(2-oxoethylcarbamoyl)cyclohexyl]-1H-pyrrole-2-carboxamide;propane is CCC.O=CCNC(=O)C1(NC(=O)c2ccc[nH]2)CCCCC1.
What is the InChIKey of N-[1-(2-oxoethylcarbamoyl)cyclohexyl]-1H-pyrrole-2-carboxamide;propane?
The InChIKey is HCQADBAKYKSNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3.C3H8/c18-10-9-16-13(20)14(6-2-1-3-7-14)17-12(19)11-5-4-8-15-11;1-3-2/h4-5,8,10,15H,1-3,6-7,9H2,(H,16,20)(H,17,19);3H2,1-2H3.
What are the key properties of N-[1-(2-oxoethylcarbamoyl)cyclohexyl]-1H-pyrrole-2-carboxamide;propane?
N-[1-(2-oxoethylcarbamoyl)cyclohexyl]-1H-pyrrole-2-carboxamide;propane has a molecular weight of 321.42 g/mol, XLogP of 2.18, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-oxoethylcarbamoyl)cyclohexyl]-1H-pyrrole-2-carboxamide;propane is sourced from PubChem (CID 143504752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).