N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-2,3-dihydro-1H-indene-5-carboxamide

C14H19N3O2 — CID 76928506

IUPACN-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
SMILESCC(C(N)=NO)N(C)C(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C14H19N3O2/c1-9(13(15)16-19)17(2)14(18)12-7-6-10-4-3-5-11(10)8-12/h6-9,19H,3-5H2,1-2H3,(H2,15,16)
InChIKeyUFYAEUNFDGOGNW-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.38
Rot. Bonds3

About N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-2,3-dihydro-1H-indene-5-carboxamide

N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 76928506) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID76928506
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
SMILESCC(C(N)=NO)N(C)C(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C14H19N3O2/c1-9(13(15)16-19)17(2)14(18)12-7-6-10-4-3-5-11(10)8-12/h6-9,19H,3-5H2,1-2H3,(H2,15,16)
InChIKeyUFYAEUNFDGOGNW-UHFFFAOYSA-N
XLogP1.38
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
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-aminopropan-2-yl)-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 113265742
N-(1-amino-1-hydroxyiminopropan-2-yl)-N,4-dimethylbenzamide
CID 76928136
N-(4-aminobutan-2-yl)-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 63225271
N-(3-amino-3-hydroxyimino-2-methylpropyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 76953006
N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-4-(trifluoromethyl)benzamide
CID 76928306
N-(2-hydroxypropyl)-N-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 62334420
N-[4-[2,3-dihydro-1H-indene-5-carbonyl(methyl)amino]butyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 86971881
N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-3-propoxybenzamide
CID 76977885
2-amino-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one;hydrochloride
CID 171323399
N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 115272627
N'-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanimidamide
CID 76914985
N-(1-amino-1-hydroxyiminopropan-2-yl)-N,3-dimethylthiophene-2-carboxamide
CID 76928249

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-2,3-dihydro-1H-indene-5-carboxamide (CID 76928506) is N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-2,3-dihydro-1H-indene-5-carboxamide is CC(C(N)=NO)N(C)C(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is UFYAEUNFDGOGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-9(13(15)16-19)17(2)14(18)12-7-6-10-4-3-5-11(10)8-12/h6-9,19H,3-5H2,1-2H3,(H2,15,16).
What are the key properties of N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-2,3-dihydro-1H-indene-5-carboxamide?
N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 261.32 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-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 76928506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).