N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide

C15H21N3O2 — CID 107127553

IUPACN-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESCC(/C(N)=N/O)N(C)C(=O)C1CCc2ccccc2C1
InChIInChI=1S/C15H21N3O2/c1-10(14(16)17-20)18(2)15(19)13-8-7-11-5-3-4-6-12(11)9-13/h3-6,10,13,20H,7-9H2,1-2H3,(H2,16,17)
InChIKeyBETXDXGDHGWASA-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.38
Rot. Bonds3

About N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide

N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide (PubChem CID 107127553) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
PubChem CID107127553
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESCC(/C(N)=N/O)N(C)C(=O)C1CCc2ccccc2C1
InChIInChI=1S/C15H21N3O2/c1-10(14(16)17-20)18(2)15(19)13-8-7-11-5-3-4-6-12(11)9-13/h3-6,10,13,20H,7-9H2,1-2H3,(H2,16,17)
InChIKeyBETXDXGDHGWASA-UHFFFAOYSA-N
XLogP1.38
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.38
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-(1-amino-1-sulfanylidenepropan-2-yl)-N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126715
N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methylcyclooctanecarboxamide
CID 77052808
N-(2-aminoethyl)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126000
N-(2-bromoethyl)-N-pentan-3-yl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127696
N-(1-hydroxypropan-2-yl)-N-methyl-2,3-dihydro-1H-indene-2-carboxamide
CID 106703954
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107493235
2-(N'-hydroxycarbamimidoyl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)butanamide
CID 76939422
N-[(3-chlorocyclobutyl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127677
N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 76928506
N-methyl-N-pyrrolidin-3-yl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126398
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 77002300
1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;hydrochloride
CID 67808987

Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide (CID 107127553) is N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide is CC(/C(N)=N/O)N(C)C(=O)C1CCc2ccccc2C1.
What is the InChIKey of N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The InChIKey is BETXDXGDHGWASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10(14(16)17-20)18(2)15(19)13-8-7-11-5-3-4-6-12(11)9-13/h3-6,10,13,20H,7-9H2,1-2H3,(H2,16,17).
What are the key properties of N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 107127553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).