4-(cyclohexanecarbonyl)-N-[3-(dimethylamino)propyl]-1H-pyrrole-2-carboxamide

C17H27N3O2 — CID 2766017

IUPAC4-(cyclohexanecarbonyl)-N-[3-(dimethylamino)propyl]-1H-pyrrole-2-carboxamide
SMILESCN(C)CCCNC(=O)c1cc(C(=O)C2CCCCC2)c[nH]1
InChIInChI=1S/C17H27N3O2/c1-20(2)10-6-9-18-17(22)15-11-14(12-19-15)16(21)13-7-4-3-5-8-13/h11-13,19H,3-10H2,1-2H3,(H,18,22)
InChIKeyWBTUVRCPTVQBCL-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.46
Rot. Bonds7

About 4-(cyclohexanecarbonyl)-N-[3-(dimethylamino)propyl]-1H-pyrrole-2-carboxamide

4-(cyclohexanecarbonyl)-N-[3-(dimethylamino)propyl]-1H-pyrrole-2-carboxamide (PubChem CID 2766017) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 4-(cyclohexanecarbonyl)-N-[3-(dimethylamino)propyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(cyclohexanecarbonyl)-N-[3-(dimethylamino)propyl]-1H-pyrrole-2-carboxamide
PubChem CID2766017
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name4-(cyclohexanecarbonyl)-N-[3-(dimethylamino)propyl]-1H-pyrrole-2-carboxamide
SMILESCN(C)CCCNC(=O)c1cc(C(=O)C2CCCCC2)c[nH]1
InChIInChI=1S/C17H27N3O2/c1-20(2)10-6-9-18-17(22)15-11-14(12-19-15)16(21)13-7-4-3-5-8-13/h11-13,19H,3-10H2,1-2H3,(H,18,22)
InChIKeyWBTUVRCPTVQBCL-UHFFFAOYSA-N
XLogP2.46
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(dimethylamino)propyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-(cyclohexanecarbonyl)-N-[3-(dimethylamino)propyl]-1H-pyrrole-2-carboxamide (CID 2766017) is 4-(cyclohexanecarbonyl)-N-[3-(dimethylamino)propyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-(cyclohexanecarbonyl)-N-[3-(dimethylamino)propyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-(cyclohexanecarbonyl)-N-[3-(dimethylamino)propyl]-1H-pyrrole-2-carboxamide is CN(C)CCCNC(=O)c1cc(C(=O)C2CCCCC2)c[nH]1.
What is the InChIKey of 4-(cyclohexanecarbonyl)-N-[3-(dimethylamino)propyl]-1H-pyrrole-2-carboxamide?
The InChIKey is WBTUVRCPTVQBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-20(2)10-6-9-18-17(22)15-11-14(12-19-15)16(21)13-7-4-3-5-8-13/h11-13,19H,3-10H2,1-2H3,(H,18,22).
What are the key properties of 4-(cyclohexanecarbonyl)-N-[3-(dimethylamino)propyl]-1H-pyrrole-2-carboxamide?
4-(cyclohexanecarbonyl)-N-[3-(dimethylamino)propyl]-1H-pyrrole-2-carboxamide has a molecular weight of 305.42 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexanecarbonyl)-N-[3-(dimethylamino)propyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 2766017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).