N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]oxane-2-carboxamide

C14H18N2O3 — CID 76937440

IUPACN-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]oxane-2-carboxamide
SMILESCC(=NO)c1ccccc1NC(=O)C1CCCCO1
InChIInChI=1S/C14H18N2O3/c1-10(16-18)11-6-2-3-7-12(11)15-14(17)13-8-4-5-9-19-13/h2-3,6-7,13,18H,4-5,8-9H2,1H3,(H,15,17)
InChIKeyOVKWLRSDNTZLKC-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.39
Rot. Bonds3

About N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]oxane-2-carboxamide

N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]oxane-2-carboxamide (PubChem CID 76937440) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]oxane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]oxane-2-carboxamide
PubChem CID76937440
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]oxane-2-carboxamide
SMILESCC(=NO)c1ccccc1NC(=O)C1CCCCO1
InChIInChI=1S/C14H18N2O3/c1-10(16-18)11-6-2-3-7-12(11)15-14(17)13-8-4-5-9-19-13/h2-3,6-7,13,18H,4-5,8-9H2,1H3,(H,15,17)
InChIKeyOVKWLRSDNTZLKC-UHFFFAOYSA-N
XLogP2.39
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromophenyl)oxane-2-carboxamide
CID 62214619
N-(2-carbamothioylphenyl)oxolane-2-carboxamide
CID 24701220
N-[2-[(2,5-dimethylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 4916607
(2R)-N-[2-(phenylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 7347410
N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 77115179
N-[2-(chloromethyl)phenyl]oxane-2-carboxamide
CID 114298099
N-(3-chloro-2-methylphenyl)oxane-2-carboxamide
CID 110859024
2-methyl-3-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid
CID 7248012
(2S)-N-(2-propan-2-ylphenyl)oxolane-2-carboxamide
CID 40532664
(2R)-N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 1250184
N-(2-phenylphenyl)oxolane-2-carboxamide
CID 2995133
2-[2-[[(2S)-oxolane-2-carbonyl]amino]phenyl]acetic acid
CID 104855642

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]oxane-2-carboxamide?
The IUPAC name of N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]oxane-2-carboxamide (CID 76937440) is N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]oxane-2-carboxamide.
What is the SMILES notation for N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]oxane-2-carboxamide?
The canonical SMILES for N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]oxane-2-carboxamide is CC(=NO)c1ccccc1NC(=O)C1CCCCO1.
What is the InChIKey of N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]oxane-2-carboxamide?
The InChIKey is OVKWLRSDNTZLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-10(16-18)11-6-2-3-7-12(11)15-14(17)13-8-4-5-9-19-13/h2-3,6-7,13,18H,4-5,8-9H2,1H3,(H,15,17).
What are the key properties of N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]oxane-2-carboxamide?
N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]oxane-2-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]oxane-2-carboxamide is sourced from PubChem (CID 76937440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).