4-(cyclohexanecarbonyl)-N-(3-morpholin-4-ylpropyl)-1H-pyrrole-2-carboxamide

C19H29N3O3 — CID 2766020

IUPAC4-(cyclohexanecarbonyl)-N-(3-morpholin-4-ylpropyl)-1H-pyrrole-2-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1cc(C(=O)C2CCCCC2)c[nH]1
InChIInChI=1S/C19H29N3O3/c23-18(15-5-2-1-3-6-15)16-13-17(21-14-16)19(24)20-7-4-8-22-9-11-25-12-10-22/h13-15,21H,1-12H2,(H,20,24)
InChIKeyYVVLMIYCPDFXJD-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.23
Rot. Bonds7

About 4-(cyclohexanecarbonyl)-N-(3-morpholin-4-ylpropyl)-1H-pyrrole-2-carboxamide

4-(cyclohexanecarbonyl)-N-(3-morpholin-4-ylpropyl)-1H-pyrrole-2-carboxamide (PubChem CID 2766020) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 4-(cyclohexanecarbonyl)-N-(3-morpholin-4-ylpropyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(cyclohexanecarbonyl)-N-(3-morpholin-4-ylpropyl)-1H-pyrrole-2-carboxamide
PubChem CID2766020
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name4-(cyclohexanecarbonyl)-N-(3-morpholin-4-ylpropyl)-1H-pyrrole-2-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1cc(C(=O)C2CCCCC2)c[nH]1
InChIInChI=1S/C19H29N3O3/c23-18(15-5-2-1-3-6-15)16-13-17(21-14-16)19(24)20-7-4-8-22-9-11-25-12-10-22/h13-15,21H,1-12H2,(H,20,24)
InChIKeyYVVLMIYCPDFXJD-UHFFFAOYSA-N
XLogP2.23
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexanecarbonyl)-N-(3-morpholin-4-ylpropyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-(cyclohexanecarbonyl)-N-(3-morpholin-4-ylpropyl)-1H-pyrrole-2-carboxamide (CID 2766020) is 4-(cyclohexanecarbonyl)-N-(3-morpholin-4-ylpropyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-(cyclohexanecarbonyl)-N-(3-morpholin-4-ylpropyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-(cyclohexanecarbonyl)-N-(3-morpholin-4-ylpropyl)-1H-pyrrole-2-carboxamide is O=C(NCCCN1CCOCC1)c1cc(C(=O)C2CCCCC2)c[nH]1.
What is the InChIKey of 4-(cyclohexanecarbonyl)-N-(3-morpholin-4-ylpropyl)-1H-pyrrole-2-carboxamide?
The InChIKey is YVVLMIYCPDFXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c23-18(15-5-2-1-3-6-15)16-13-17(21-14-16)19(24)20-7-4-8-22-9-11-25-12-10-22/h13-15,21H,1-12H2,(H,20,24).
What are the key properties of 4-(cyclohexanecarbonyl)-N-(3-morpholin-4-ylpropyl)-1H-pyrrole-2-carboxamide?
4-(cyclohexanecarbonyl)-N-(3-morpholin-4-ylpropyl)-1H-pyrrole-2-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexanecarbonyl)-N-(3-morpholin-4-ylpropyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 2766020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).