1-[2-(hydroxyamino)-2-oxoethyl]-N-(3-phenylmethoxy-2-pyridinyl)cyclohexane-1-carboxamide

C21H25N3O4 — CID 139789926

IUPAC1-[2-(hydroxyamino)-2-oxoethyl]-N-(3-phenylmethoxy-2-pyridinyl)cyclohexane-1-carboxamide
SMILESO=C(CC1(C(=O)Nc2ncccc2OCc2ccccc2)CCCCC1)NO
InChIInChI=1S/C21H25N3O4/c25-18(24-27)14-21(11-5-2-6-12-21)20(26)23-19-17(10-7-13-22-19)28-15-16-8-3-1-4-9-16/h1,3-4,7-10,13,27H,2,5-6,11-12,14-15H2,(H,24,25)(H,22,23,26)
InChIKeyVDYSMNRIMBJSQY-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.45
Rot. Bonds7

About 1-[2-(hydroxyamino)-2-oxoethyl]-N-(3-phenylmethoxy-2-pyridinyl)cyclohexane-1-carboxamide

1-[2-(hydroxyamino)-2-oxoethyl]-N-(3-phenylmethoxy-2-pyridinyl)cyclohexane-1-carboxamide (PubChem CID 139789926) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is 1-[2-(hydroxyamino)-2-oxoethyl]-N-(3-phenylmethoxy-2-pyridinyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[2-(hydroxyamino)-2-oxoethyl]-N-(3-phenylmethoxy-2-pyridinyl)cyclohexane-1-carboxamide
PubChem CID139789926
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name1-[2-(hydroxyamino)-2-oxoethyl]-N-(3-phenylmethoxy-2-pyridinyl)cyclohexane-1-carboxamide
SMILESO=C(CC1(C(=O)Nc2ncccc2OCc2ccccc2)CCCCC1)NO
InChIInChI=1S/C21H25N3O4/c25-18(24-27)14-21(11-5-2-6-12-21)20(26)23-19-17(10-7-13-22-19)28-15-16-8-3-1-4-9-16/h1,3-4,7-10,13,27H,2,5-6,11-12,14-15H2,(H,24,25)(H,22,23,26)
InChIKeyVDYSMNRIMBJSQY-UHFFFAOYSA-N
XLogP3.45
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[2-(hydroxyamino)-2-oxoethyl]-N-(3-phenylmethoxy-2-pyridinyl)cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxyamino)-2-oxoethyl]-N-(3-phenylmethoxy-2-pyridinyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-[2-(hydroxyamino)-2-oxoethyl]-N-(3-phenylmethoxy-2-pyridinyl)cyclohexane-1-carboxamide (CID 139789926) is 1-[2-(hydroxyamino)-2-oxoethyl]-N-(3-phenylmethoxy-2-pyridinyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-[2-(hydroxyamino)-2-oxoethyl]-N-(3-phenylmethoxy-2-pyridinyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-[2-(hydroxyamino)-2-oxoethyl]-N-(3-phenylmethoxy-2-pyridinyl)cyclohexane-1-carboxamide is O=C(CC1(C(=O)Nc2ncccc2OCc2ccccc2)CCCCC1)NO.
What is the InChIKey of 1-[2-(hydroxyamino)-2-oxoethyl]-N-(3-phenylmethoxy-2-pyridinyl)cyclohexane-1-carboxamide?
The InChIKey is VDYSMNRIMBJSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c25-18(24-27)14-21(11-5-2-6-12-21)20(26)23-19-17(10-7-13-22-19)28-15-16-8-3-1-4-9-16/h1,3-4,7-10,13,27H,2,5-6,11-12,14-15H2,(H,24,25)(H,22,23,26).
What are the key properties of 1-[2-(hydroxyamino)-2-oxoethyl]-N-(3-phenylmethoxy-2-pyridinyl)cyclohexane-1-carboxamide?
1-[2-(hydroxyamino)-2-oxoethyl]-N-(3-phenylmethoxy-2-pyridinyl)cyclohexane-1-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 3.45, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxyamino)-2-oxoethyl]-N-(3-phenylmethoxy-2-pyridinyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 139789926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).