1-cyclopropyl-N-[4-(2-hydroxycyclohexyl)oxyphenyl]pyrrole-2-carboxamide

C20H24N2O3 — CID 110007275

IUPAC1-cyclopropyl-N-[4-(2-hydroxycyclohexyl)oxyphenyl]pyrrole-2-carboxamide
SMILESO=C(Nc1ccc(OC2CCCCC2O)cc1)c1cccn1C1CC1
InChIInChI=1S/C20H24N2O3/c23-18-5-1-2-6-19(18)25-16-11-7-14(8-12-16)21-20(24)17-4-3-13-22(17)15-9-10-15/h3-4,7-8,11-13,15,18-19,23H,1-2,5-6,9-10H2,(H,21,24)
InChIKeyWDKBKUCXSQSBAX-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.76
Rot. Bonds5

About 1-cyclopropyl-N-[4-(2-hydroxycyclohexyl)oxyphenyl]pyrrole-2-carboxamide

1-cyclopropyl-N-[4-(2-hydroxycyclohexyl)oxyphenyl]pyrrole-2-carboxamide (PubChem CID 110007275) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 1-cyclopropyl-N-[4-(2-hydroxycyclohexyl)oxyphenyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[4-(2-hydroxycyclohexyl)oxyphenyl]pyrrole-2-carboxamide
PubChem CID110007275
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name1-cyclopropyl-N-[4-(2-hydroxycyclohexyl)oxyphenyl]pyrrole-2-carboxamide
SMILESO=C(Nc1ccc(OC2CCCCC2O)cc1)c1cccn1C1CC1
InChIInChI=1S/C20H24N2O3/c23-18-5-1-2-6-19(18)25-16-11-7-14(8-12-16)21-20(24)17-4-3-13-22(17)15-9-10-15/h3-4,7-8,11-13,15,18-19,23H,1-2,5-6,9-10H2,(H,21,24)
InChIKeyWDKBKUCXSQSBAX-UHFFFAOYSA-N
XLogP3.76
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1-cyclopropylpyrrole-2-carbonyl)amino]benzoic acid
CID 43639269
1-cyclobutyl-N-(4-iodophenyl)pyrrole-2-carboxamide
CID 114609194
4-[(1-cyclobutylpyrrole-2-carbonyl)amino]benzoic acid
CID 114608562
N-[4-[(1R,2R)-2-hydroxycyclohexyl]oxyphenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide
CID 99809239
N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-methylbenzamide
CID 111428764
2-cyano-N-[4-(2-hydroxycyclohexyl)oxyphenyl]benzamide
CID 111825146
N-[4-[[4-(2-hydroxycyclohexyl)oxyphenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 86974264
N-[4-(2-hydroxycyclohexyl)oxyphenyl]propanamide
CID 111428793
5-[[4-(2-hydroxycyclohexyl)oxyphenyl]carbamoyl]pyridine-2-carboxylic acid
CID 120515766
1-cyclopropyl-N-(3-hydroxyphenyl)pyrrole-2-carboxamide
CID 43639337
2-amino-N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-methylpropanamide
CID 119329332
2-(cyclopropylmethylamino)-N-[4-(2-hydroxycyclohexyl)oxyphenyl]acetamide;hydrochloride
CID 119793780

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[4-(2-hydroxycyclohexyl)oxyphenyl]pyrrole-2-carboxamide?
The IUPAC name of 1-cyclopropyl-N-[4-(2-hydroxycyclohexyl)oxyphenyl]pyrrole-2-carboxamide (CID 110007275) is 1-cyclopropyl-N-[4-(2-hydroxycyclohexyl)oxyphenyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-[4-(2-hydroxycyclohexyl)oxyphenyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-[4-(2-hydroxycyclohexyl)oxyphenyl]pyrrole-2-carboxamide is O=C(Nc1ccc(OC2CCCCC2O)cc1)c1cccn1C1CC1.
What is the InChIKey of 1-cyclopropyl-N-[4-(2-hydroxycyclohexyl)oxyphenyl]pyrrole-2-carboxamide?
The InChIKey is WDKBKUCXSQSBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c23-18-5-1-2-6-19(18)25-16-11-7-14(8-12-16)21-20(24)17-4-3-13-22(17)15-9-10-15/h3-4,7-8,11-13,15,18-19,23H,1-2,5-6,9-10H2,(H,21,24).
What are the key properties of 1-cyclopropyl-N-[4-(2-hydroxycyclohexyl)oxyphenyl]pyrrole-2-carboxamide?
1-cyclopropyl-N-[4-(2-hydroxycyclohexyl)oxyphenyl]pyrrole-2-carboxamide has a molecular weight of 340.42 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[4-(2-hydroxycyclohexyl)oxyphenyl]pyrrole-2-carboxamide is sourced from PubChem (CID 110007275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).