1-[(2R)-2-carbamoylcyclopentyl]-4-hydroxy-5-oxo-N-(4-phenylcyclohexyl)-2H-pyrrole-3-carboxamide

C23H29N3O4 — CID 122436742

IUPAC1-[(2R)-2-carbamoylcyclopentyl]-4-hydroxy-5-oxo-N-(4-phenylcyclohexyl)-2H-pyrrole-3-carboxamide
SMILESNC(=O)[C@@H]1CCCC1N1CC(C(=O)NC2CCC(c3ccccc3)CC2)=C(O)C1=O
InChIInChI=1S/C23H29N3O4/c24-21(28)17-7-4-8-19(17)26-13-18(20(27)23(26)30)22(29)25-16-11-9-15(10-12-16)14-5-2-1-3-6-14/h1-3,5-6,15-17,19,27H,4,7-13H2,(H2,24,28)(H,25,29)/t15?,16?,17-,19?/m1/s1
InChIKeyJMATXULMHHJALY-APUKJBRXSA-N
MW411.50 g/mol
LogP2.14
Rot. Bonds5

About 1-[(2R)-2-carbamoylcyclopentyl]-4-hydroxy-5-oxo-N-(4-phenylcyclohexyl)-2H-pyrrole-3-carboxamide

1-[(2R)-2-carbamoylcyclopentyl]-4-hydroxy-5-oxo-N-(4-phenylcyclohexyl)-2H-pyrrole-3-carboxamide (PubChem CID 122436742) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is 1-[(2R)-2-carbamoylcyclopentyl]-4-hydroxy-5-oxo-N-(4-phenylcyclohexyl)-2H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-[(2R)-2-carbamoylcyclopentyl]-4-hydroxy-5-oxo-N-(4-phenylcyclohexyl)-2H-pyrrole-3-carboxamide
PubChem CID122436742
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC Name1-[(2R)-2-carbamoylcyclopentyl]-4-hydroxy-5-oxo-N-(4-phenylcyclohexyl)-2H-pyrrole-3-carboxamide
SMILESNC(=O)[C@@H]1CCCC1N1CC(C(=O)NC2CCC(c3ccccc3)CC2)=C(O)C1=O
InChIInChI=1S/C23H29N3O4/c24-21(28)17-7-4-8-19(17)26-13-18(20(27)23(26)30)22(29)25-16-11-9-15(10-12-16)14-5-2-1-3-6-14/h1-3,5-6,15-17,19,27H,4,7-13H2,(H2,24,28)(H,25,29)/t15?,16?,17-,19?/m1/s1
InChIKeyJMATXULMHHJALY-APUKJBRXSA-N
XLogP2.14
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-carbamoylcyclopentyl]-4-hydroxy-5-oxo-N-(4-phenylcyclohexyl)-2H-pyrrole-3-carboxamide?
The IUPAC name of 1-[(2R)-2-carbamoylcyclopentyl]-4-hydroxy-5-oxo-N-(4-phenylcyclohexyl)-2H-pyrrole-3-carboxamide (CID 122436742) is 1-[(2R)-2-carbamoylcyclopentyl]-4-hydroxy-5-oxo-N-(4-phenylcyclohexyl)-2H-pyrrole-3-carboxamide.
What is the SMILES notation for 1-[(2R)-2-carbamoylcyclopentyl]-4-hydroxy-5-oxo-N-(4-phenylcyclohexyl)-2H-pyrrole-3-carboxamide?
The canonical SMILES for 1-[(2R)-2-carbamoylcyclopentyl]-4-hydroxy-5-oxo-N-(4-phenylcyclohexyl)-2H-pyrrole-3-carboxamide is NC(=O)[C@@H]1CCCC1N1CC(C(=O)NC2CCC(c3ccccc3)CC2)=C(O)C1=O.
What is the InChIKey of 1-[(2R)-2-carbamoylcyclopentyl]-4-hydroxy-5-oxo-N-(4-phenylcyclohexyl)-2H-pyrrole-3-carboxamide?
The InChIKey is JMATXULMHHJALY-APUKJBRXSA-N. The full InChI is InChI=1S/C23H29N3O4/c24-21(28)17-7-4-8-19(17)26-13-18(20(27)23(26)30)22(29)25-16-11-9-15(10-12-16)14-5-2-1-3-6-14/h1-3,5-6,15-17,19,27H,4,7-13H2,(H2,24,28)(H,25,29)/t15?,16?,17-,19?/m1/s1.
What are the key properties of 1-[(2R)-2-carbamoylcyclopentyl]-4-hydroxy-5-oxo-N-(4-phenylcyclohexyl)-2H-pyrrole-3-carboxamide?
1-[(2R)-2-carbamoylcyclopentyl]-4-hydroxy-5-oxo-N-(4-phenylcyclohexyl)-2H-pyrrole-3-carboxamide has a molecular weight of 411.50 g/mol, XLogP of 2.14, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-carbamoylcyclopentyl]-4-hydroxy-5-oxo-N-(4-phenylcyclohexyl)-2H-pyrrole-3-carboxamide is sourced from PubChem (CID 122436742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).