N-(2-amino-2-hydroxyiminoethyl)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C16H23N3O2 — CID 77044925

IUPACN-(2-amino-2-hydroxyiminoethyl)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCC(C)N(CC(N)=NO)C(=O)C1CCCc2ccccc21
InChIInChI=1S/C16H23N3O2/c1-11(2)19(10-15(17)18-21)16(20)14-9-5-7-12-6-3-4-8-13(12)14/h3-4,6,8,11,14,21H,5,7,9-10H2,1-2H3,(H2,17,18)
InChIKeyCDTDJKKTIJMZCI-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.09
Rot. Bonds4

About N-(2-amino-2-hydroxyiminoethyl)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide

N-(2-amino-2-hydroxyiminoethyl)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 77044925) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(2-amino-2-hydroxyiminoethyl)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-hydroxyiminoethyl)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID77044925
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-(2-amino-2-hydroxyiminoethyl)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCC(C)N(CC(N)=NO)C(=O)C1CCCc2ccccc21
InChIInChI=1S/C16H23N3O2/c1-11(2)19(10-15(17)18-21)16(20)14-9-5-7-12-6-3-4-8-13(12)14/h3-4,6,8,11,14,21H,5,7,9-10H2,1-2H3,(H2,17,18)
InChIKeyCDTDJKKTIJMZCI-UHFFFAOYSA-N
XLogP2.09
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.09
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-aminoethyl)-N-pentan-3-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 63754765
N-(2-amino-2-sulfanylideneethyl)-N-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 62719083
N-(1-aminopropan-2-yl)-N-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide;hydrochloride
CID 119584567
N-(1-amino-1-hydroxyiminopropan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 76948358
2-amino-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-one
CID 71326492
N-(1-cyanoethyl)-N-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 55090369
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66397141
N-(2-amino-2-hydroxyiminoethyl)-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 77136038
N,N-bis(2-hydroxyethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 61233966
N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-yl-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 79212255
3-methyl-2-propan-2-yl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-1-one
CID 114282258
N-(4-aminophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 62719075

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 77044925) is N-(2-amino-2-hydroxyiminoethyl)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for N-(2-amino-2-hydroxyiminoethyl)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for N-(2-amino-2-hydroxyiminoethyl)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide is CC(C)N(CC(N)=NO)C(=O)C1CCCc2ccccc21.
What is the InChIKey of N-(2-amino-2-hydroxyiminoethyl)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is CDTDJKKTIJMZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11(2)19(10-15(17)18-21)16(20)14-9-5-7-12-6-3-4-8-13(12)14/h3-4,6,8,11,14,21H,5,7,9-10H2,1-2H3,(H2,17,18).
What are the key properties of N-(2-amino-2-hydroxyiminoethyl)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
N-(2-amino-2-hydroxyiminoethyl)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 2.09, 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-propan-2-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 77044925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).