N,5-dihydroxy-2-(3-phenyl-2,5-dihydropyrrole-1-carbonyl)cyclohexane-1-carboxamide

C18H22N2O4 — CID 72816020

IUPACN,5-dihydroxy-2-(3-phenyl-2,5-dihydropyrrole-1-carbonyl)cyclohexane-1-carboxamide
SMILESO=C(NO)C1CC(O)CCC1C(=O)N1CC=C(c2ccccc2)C1
InChIInChI=1S/C18H22N2O4/c21-14-6-7-15(16(10-14)17(22)19-24)18(23)20-9-8-13(11-20)12-4-2-1-3-5-12/h1-5,8,14-16,21,24H,6-7,9-11H2,(H,19,22)
InChIKeyNXUDDAPZAYKXMA-UHFFFAOYSA-N
MW330.38 g/mol
LogP1.19
Rot. Bonds3

About N,5-dihydroxy-2-(3-phenyl-2,5-dihydropyrrole-1-carbonyl)cyclohexane-1-carboxamide

N,5-dihydroxy-2-(3-phenyl-2,5-dihydropyrrole-1-carbonyl)cyclohexane-1-carboxamide (PubChem CID 72816020) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is N,5-dihydroxy-2-(3-phenyl-2,5-dihydropyrrole-1-carbonyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN,5-dihydroxy-2-(3-phenyl-2,5-dihydropyrrole-1-carbonyl)cyclohexane-1-carboxamide
PubChem CID72816020
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC NameN,5-dihydroxy-2-(3-phenyl-2,5-dihydropyrrole-1-carbonyl)cyclohexane-1-carboxamide
SMILESO=C(NO)C1CC(O)CCC1C(=O)N1CC=C(c2ccccc2)C1
InChIInChI=1S/C18H22N2O4/c21-14-6-7-15(16(10-14)17(22)19-24)18(23)20-9-8-13(11-20)12-4-2-1-3-5-12/h1-5,8,14-16,21,24H,6-7,9-11H2,(H,19,22)
InChIKeyNXUDDAPZAYKXMA-UHFFFAOYSA-N
XLogP1.19
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,5-dihydroxy-2-(3-phenyl-2,5-dihydropyrrole-1-carbonyl)cyclohexane-1-carboxamide?
The IUPAC name of N,5-dihydroxy-2-(3-phenyl-2,5-dihydropyrrole-1-carbonyl)cyclohexane-1-carboxamide (CID 72816020) is N,5-dihydroxy-2-(3-phenyl-2,5-dihydropyrrole-1-carbonyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N,5-dihydroxy-2-(3-phenyl-2,5-dihydropyrrole-1-carbonyl)cyclohexane-1-carboxamide?
The canonical SMILES for N,5-dihydroxy-2-(3-phenyl-2,5-dihydropyrrole-1-carbonyl)cyclohexane-1-carboxamide is O=C(NO)C1CC(O)CCC1C(=O)N1CC=C(c2ccccc2)C1.
What is the InChIKey of N,5-dihydroxy-2-(3-phenyl-2,5-dihydropyrrole-1-carbonyl)cyclohexane-1-carboxamide?
The InChIKey is NXUDDAPZAYKXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c21-14-6-7-15(16(10-14)17(22)19-24)18(23)20-9-8-13(11-20)12-4-2-1-3-5-12/h1-5,8,14-16,21,24H,6-7,9-11H2,(H,19,22).
What are the key properties of N,5-dihydroxy-2-(3-phenyl-2,5-dihydropyrrole-1-carbonyl)cyclohexane-1-carboxamide?
N,5-dihydroxy-2-(3-phenyl-2,5-dihydropyrrole-1-carbonyl)cyclohexane-1-carboxamide has a molecular weight of 330.38 g/mol, XLogP of 1.19, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dihydroxy-2-(3-phenyl-2,5-dihydropyrrole-1-carbonyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 72816020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).