N-(2-amino-2-hydroxyiminoethyl)-N-ethylnaphthalene-2-carboxamide

C15H17N3O2 — CID 76929403

IUPACN-(2-amino-2-hydroxyiminoethyl)-N-ethylnaphthalene-2-carboxamide
SMILESCCN(CC(N)=NO)C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C15H17N3O2/c1-2-18(10-14(16)17-20)15(19)13-8-7-11-5-3-4-6-12(11)9-13/h3-9,20H,2,10H2,1H3,(H2,16,17)
InChIKeyQUCBRCOCIPMJET-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.05
Rot. Bonds4

About N-(2-amino-2-hydroxyiminoethyl)-N-ethylnaphthalene-2-carboxamide

N-(2-amino-2-hydroxyiminoethyl)-N-ethylnaphthalene-2-carboxamide (PubChem CID 76929403) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-(2-amino-2-hydroxyiminoethyl)-N-ethylnaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-hydroxyiminoethyl)-N-ethylnaphthalene-2-carboxamide
PubChem CID76929403
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-(2-amino-2-hydroxyiminoethyl)-N-ethylnaphthalene-2-carboxamide
SMILESCCN(CC(N)=NO)C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C15H17N3O2/c1-2-18(10-14(16)17-20)15(19)13-8-7-11-5-3-4-6-12(11)9-13/h3-9,20H,2,10H2,1H3,(H2,16,17)
InChIKeyQUCBRCOCIPMJET-UHFFFAOYSA-N
XLogP2.05
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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-amino-2-hydroxyiminoethyl)-N-ethylquinoline-6-carboxamide
CID 76951107
N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-1,3-benzodioxole-5-carboxamide
CID 76929458
N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-3-iodobenzamide
CID 76929197
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]naphthalene-2-carboxamide
CID 34797434
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-ethyl-4-fluoro-3-methoxybenzamide
CID 81284884
N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-6-methylpyridine-3-carboxamide
CID 76929152
N,N-diethylphenanthrene-2-carboxamide
CID 15466572
N-(2-amino-2-oxoethyl)-N-ethyl-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 103103729
N,N-dibutylnaphthalene-2-carboxamide
CID 154151885
N-(2-amino-2-oxoethyl)-N-propan-2-ylnaphthalene-2-carboxamide
CID 4801962
N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-5-iodothiophene-3-carboxamide
CID 79683911
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3,4-dihydroxy-N-propylbenzamide
CID 107728907

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-N-ethylnaphthalene-2-carboxamide?
The IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-N-ethylnaphthalene-2-carboxamide (CID 76929403) is N-(2-amino-2-hydroxyiminoethyl)-N-ethylnaphthalene-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-hydroxyiminoethyl)-N-ethylnaphthalene-2-carboxamide?
The canonical SMILES for N-(2-amino-2-hydroxyiminoethyl)-N-ethylnaphthalene-2-carboxamide is CCN(CC(N)=NO)C(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-(2-amino-2-hydroxyiminoethyl)-N-ethylnaphthalene-2-carboxamide?
The InChIKey is QUCBRCOCIPMJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-2-18(10-14(16)17-20)15(19)13-8-7-11-5-3-4-6-12(11)9-13/h3-9,20H,2,10H2,1H3,(H2,16,17).
What are the key properties of N-(2-amino-2-hydroxyiminoethyl)-N-ethylnaphthalene-2-carboxamide?
N-(2-amino-2-hydroxyiminoethyl)-N-ethylnaphthalene-2-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-hydroxyiminoethyl)-N-ethylnaphthalene-2-carboxamide is sourced from PubChem (CID 76929403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).