1-cyclohexyl-N-[2-(diethylamino)propyl]-2,5-dimethylpyrrole-3-carboxamide

C20H35N3O — CID 55683303

IUPAC1-cyclohexyl-N-[2-(diethylamino)propyl]-2,5-dimethylpyrrole-3-carboxamide
SMILESCCN(CC)C(C)CNC(=O)c1cc(C)n(C2CCCCC2)c1C
InChIInChI=1S/C20H35N3O/c1-6-22(7-2)16(4)14-21-20(24)19-13-15(3)23(17(19)5)18-11-9-8-10-12-18/h13,16,18H,6-12,14H2,1-5H3,(H,21,24)
InChIKeySCSVIQKKELXCSG-UHFFFAOYSA-N
MW333.52 g/mol
LogP4.07
Rot. Bonds7

About 1-cyclohexyl-N-[2-(diethylamino)propyl]-2,5-dimethylpyrrole-3-carboxamide

1-cyclohexyl-N-[2-(diethylamino)propyl]-2,5-dimethylpyrrole-3-carboxamide (PubChem CID 55683303) has the molecular formula C20H35N3O and a molecular weight of 333.52 g/mol. Its IUPAC name is 1-cyclohexyl-N-[2-(diethylamino)propyl]-2,5-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N-[2-(diethylamino)propyl]-2,5-dimethylpyrrole-3-carboxamide
PubChem CID55683303
Molecular FormulaC20H35N3O
Molecular Weight333.52 g/mol
Exact Mass333.28
IUPAC Name1-cyclohexyl-N-[2-(diethylamino)propyl]-2,5-dimethylpyrrole-3-carboxamide
SMILESCCN(CC)C(C)CNC(=O)c1cc(C)n(C2CCCCC2)c1C
InChIInChI=1S/C20H35N3O/c1-6-22(7-2)16(4)14-21-20(24)19-13-15(3)23(17(19)5)18-11-9-8-10-12-18/h13,16,18H,6-12,14H2,1-5H3,(H,21,24)
InChIKeySCSVIQKKELXCSG-UHFFFAOYSA-N
XLogP4.07
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.52
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-N-(2-phenylethyl)pyrrole-2-carboxamide
CID 2542487
N-(2-(3-Formyl-2,5-dimethyl-1H-pyrrol-1-yl)ethyl)acetamide
CID 178134
1-Cyclohexyl-2,5-dimethyl-1H-pyrrole-3-carbaldehyde
CID 880072
N-(2-acetamidoethyl)-4-(2,5-dimethylpyrrol-1-yl)benzamide
CID 2468420
3-[2-Oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 4875718
2,5-dimethyl-N-(2-phenylethyl)-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 11710766
1-benzyl-N-[(4-carbamimidoylphenyl)methyl]-2,5-dimethylpyrrole-3-carboxamide
CID 24856467
N-(3-(4-(2,3-dimethylphenyl)piperazin-1-yl)propyl)-1,2-dimethyl-5-phenyl-1H-pyrrole-3-carboxamide
CID 45278721
N-(3-(4-(2,3-dimethylphenyl)piperazin-1-yl)propyl)-1-ethyl-2-methyl-5-phenyl-1H-pyrrole-3-carboxamide
CID 45278723
N-(3-(4-(2,3-dimethylphenyl)piperazin-1-yl)propyl)-2-methyl-5-phenyl-1-propyl-1H-pyrrole-3-carboxamide
CID 45278802
N-(4-(4-(2,3-dimethylphenyl)piperazin-1-yl)butyl)-2-methyl-5-phenyl-1-propyl-1H-pyrrole-3-carboxamide
CID 45279134
N-(4-(4-(2,3-dimethylphenyl)piperazin-1-yl)butyl)-1,2-dimethyl-5-phenyl-1H-pyrrole-3-carboxamide
CID 45279212

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[2-(diethylamino)propyl]-2,5-dimethylpyrrole-3-carboxamide?
The IUPAC name of 1-cyclohexyl-N-[2-(diethylamino)propyl]-2,5-dimethylpyrrole-3-carboxamide (CID 55683303) is 1-cyclohexyl-N-[2-(diethylamino)propyl]-2,5-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N-[2-(diethylamino)propyl]-2,5-dimethylpyrrole-3-carboxamide?
The canonical SMILES for 1-cyclohexyl-N-[2-(diethylamino)propyl]-2,5-dimethylpyrrole-3-carboxamide is CCN(CC)C(C)CNC(=O)c1cc(C)n(C2CCCCC2)c1C.
What is the InChIKey of 1-cyclohexyl-N-[2-(diethylamino)propyl]-2,5-dimethylpyrrole-3-carboxamide?
The InChIKey is SCSVIQKKELXCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O/c1-6-22(7-2)16(4)14-21-20(24)19-13-15(3)23(17(19)5)18-11-9-8-10-12-18/h13,16,18H,6-12,14H2,1-5H3,(H,21,24).
What are the key properties of 1-cyclohexyl-N-[2-(diethylamino)propyl]-2,5-dimethylpyrrole-3-carboxamide?
1-cyclohexyl-N-[2-(diethylamino)propyl]-2,5-dimethylpyrrole-3-carboxamide has a molecular weight of 333.52 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[2-(diethylamino)propyl]-2,5-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 55683303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).