cyclohexyl 4-benzamido-2-methyl-1H-pyrrole-3-carboxylate

C19H22N2O3 — CID 19873206

IUPACcyclohexyl 4-benzamido-2-methyl-1H-pyrrole-3-carboxylate
SMILESCc1[nH]cc(NC(=O)c2ccccc2)c1C(=O)OC1CCCCC1
InChIInChI=1S/C19H22N2O3/c1-13-17(19(23)24-15-10-6-3-7-11-15)16(12-20-13)21-18(22)14-8-4-2-5-9-14/h2,4-5,8-9,12,15,20H,3,6-7,10-11H2,1H3,(H,21,22)
InChIKeyFYVSOGSYZUVGCQ-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.06
Rot. Bonds4

About cyclohexyl 4-benzamido-2-methyl-1H-pyrrole-3-carboxylate

cyclohexyl 4-benzamido-2-methyl-1H-pyrrole-3-carboxylate (PubChem CID 19873206) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is cyclohexyl 4-benzamido-2-methyl-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Namecyclohexyl 4-benzamido-2-methyl-1H-pyrrole-3-carboxylate
PubChem CID19873206
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Namecyclohexyl 4-benzamido-2-methyl-1H-pyrrole-3-carboxylate
SMILESCc1[nH]cc(NC(=O)c2ccccc2)c1C(=O)OC1CCCCC1
InChIInChI=1S/C19H22N2O3/c1-13-17(19(23)24-15-10-6-3-7-11-15)16(12-20-13)21-18(22)14-8-4-2-5-9-14/h2,4-5,8-9,12,15,20H,3,6-7,10-11H2,1H3,(H,21,22)
InChIKeyFYVSOGSYZUVGCQ-UHFFFAOYSA-N
XLogP4.06
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-(pyridine-4-carbonylamino)-1H-pyrrole-3-carboxylic acid
CID 82880507
cyclohexyl 4-[(4-fluorobenzoyl)amino]benzoate
CID 17128629
ethyl 2-methyl-4-(pyridazine-4-carbonylamino)-1H-pyrrole-3-carboxylate
CID 104669954
4-[[3-(methoxymethyl)benzoyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82875992
(4-cyclohexylcyclohexyl) benzoate
CID 20686453
cyclohexyl 2-(methylamino)benzoate
CID 61278808
2-methyl-4-(3-phenylprop-2-ynoylamino)-1H-pyrrole-3-carboxylic acid
CID 82881147
cyclohexyl benzenecarboperoxoate
CID 154097275
dicyclohexyl benzene-1,2-dicarboxylate;methane
CID 160634913
cyclohexanol;1-phenylethanone
CID 22467660
cyclohexyl 4-[(4-chlorobenzoyl)amino]benzoate
CID 17128630
cyclohexanol;cyclohexyl 2-hydroxybenzoate;methyl 2-hydroxybenzoate
CID 158563155

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 4-benzamido-2-methyl-1H-pyrrole-3-carboxylate?
The IUPAC name of cyclohexyl 4-benzamido-2-methyl-1H-pyrrole-3-carboxylate (CID 19873206) is cyclohexyl 4-benzamido-2-methyl-1H-pyrrole-3-carboxylate.
What is the SMILES notation for cyclohexyl 4-benzamido-2-methyl-1H-pyrrole-3-carboxylate?
The canonical SMILES for cyclohexyl 4-benzamido-2-methyl-1H-pyrrole-3-carboxylate is Cc1[nH]cc(NC(=O)c2ccccc2)c1C(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl 4-benzamido-2-methyl-1H-pyrrole-3-carboxylate?
The InChIKey is FYVSOGSYZUVGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-13-17(19(23)24-15-10-6-3-7-11-15)16(12-20-13)21-18(22)14-8-4-2-5-9-14/h2,4-5,8-9,12,15,20H,3,6-7,10-11H2,1H3,(H,21,22).
What are the key properties of cyclohexyl 4-benzamido-2-methyl-1H-pyrrole-3-carboxylate?
cyclohexyl 4-benzamido-2-methyl-1H-pyrrole-3-carboxylate has a molecular weight of 326.40 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 4-benzamido-2-methyl-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 19873206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).