N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide

C20H20N2O3 — CID 122514317

IUPACN-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESO=C(/C=C/c1ccccc1NC(=O)C1CCc2ccccc2C1)NO
InChIInChI=1S/C20H20N2O3/c23-19(22-25)12-11-15-6-3-4-8-18(15)21-20(24)17-10-9-14-5-1-2-7-16(14)13-17/h1-8,11-12,17,25H,9-10,13H2,(H,21,24)(H,22,23)/b12-11+
InChIKeyODOPXVMMRVUFTO-VAWYXSNFSA-N
MW336.39 g/mol
LogP2.95
Rot. Bonds4

About N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide

N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide (PubChem CID 122514317) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
PubChem CID122514317
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESO=C(/C=C/c1ccccc1NC(=O)C1CCc2ccccc2C1)NO
InChIInChI=1S/C20H20N2O3/c23-19(22-25)12-11-15-6-3-4-8-18(15)21-20(24)17-10-9-14-5-1-2-7-16(14)13-17/h1-8,11-12,17,25H,9-10,13H2,(H,21,24)(H,22,23)/b12-11+
InChIKeyODOPXVMMRVUFTO-VAWYXSNFSA-N
XLogP2.95
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 122513986
N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]cyclohexanecarboxamide
CID 122514304
N-(2-bromo-3-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126797
N-(2-formylphenyl)-6,7-dimethyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 88954197
N-(4-hydroxyphenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126922
ethane;N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 143214414
N-(5-amino-2-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126097
N-(6-fluoro-2-pyridinyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127954
N-(4-bromo-3-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107620504
1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;hydrochloride
CID 67808987
N-(3-chloro-4-hydroxyphenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126932
N-(5-methyl-1H-pyrazol-3-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127185

Frequently Asked Questions

What is the IUPAC name of N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide (CID 122514317) is N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide is O=C(/C=C/c1ccccc1NC(=O)C1CCc2ccccc2C1)NO.
What is the InChIKey of N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The InChIKey is ODOPXVMMRVUFTO-VAWYXSNFSA-N. The full InChI is InChI=1S/C20H20N2O3/c23-19(22-25)12-11-15-6-3-4-8-18(15)21-20(24)17-10-9-14-5-1-2-7-16(14)13-17/h1-8,11-12,17,25H,9-10,13H2,(H,21,24)(H,22,23)/b12-11+.
What are the key properties of N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 2.95, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 122514317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).