N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-4-methoxybenzamide

C14H21N3O3 — CID 76910706

IUPACN-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-4-methoxybenzamide
SMILESCCN(CC(C)C(N)=NO)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C14H21N3O3/c1-4-17(9-10(2)13(15)16-19)14(18)11-5-7-12(20-3)8-6-11/h5-8,10,19H,4,9H2,1-3H3,(H2,15,16)
InChIKeyDHEOYXZEAPDRRK-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.54
Rot. Bonds6

About N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-4-methoxybenzamide

N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-4-methoxybenzamide (PubChem CID 76910706) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-4-methoxybenzamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-4-methoxybenzamide
PubChem CID76910706
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-4-methoxybenzamide
SMILESCCN(CC(C)C(N)=NO)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C14H21N3O3/c1-4-17(9-10(2)13(15)16-19)14(18)11-5-7-12(20-3)8-6-11/h5-8,10,19H,4,9H2,1-3H3,(H2,15,16)
InChIKeyDHEOYXZEAPDRRK-UHFFFAOYSA-N
XLogP1.54
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-3,5-dihydroxybenzamide
CID 107705588
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-3-hydroxybenzamide
CID 54987785
N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-(dimethylamino)-N-ethylbenzamide
CID 76910771
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-2,6-difluorobenzamide
CID 76910656
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-1-methylpyrazole-3-carboxamide
CID 103121379
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethylthiophene-2-carboxamide
CID 54987293
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-1-methylpyrazole-4-carboxamide
CID 54987485
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-2-(2-methoxyphenyl)acetamide
CID 76910736
N-ethyl-N-(2-hydroxyethyl)-4-methoxybenzamide
CID 39245676
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-2,4,6-trifluorobenzamide
CID 77056008
N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-(4-methoxyphenyl)-N-methylpropanamide
CID 76910826
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2,4-dibromo-N-ethylbenzamide
CID 107940516

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-4-methoxybenzamide?
The IUPAC name of N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-4-methoxybenzamide (CID 76910706) is N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-4-methoxybenzamide.
What is the SMILES notation for N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-4-methoxybenzamide?
The canonical SMILES for N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-4-methoxybenzamide is CCN(CC(C)C(N)=NO)C(=O)c1ccc(OC)cc1.
What is the InChIKey of N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-4-methoxybenzamide?
The InChIKey is DHEOYXZEAPDRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-4-17(9-10(2)13(15)16-19)14(18)11-5-7-12(20-3)8-6-11/h5-8,10,19H,4,9H2,1-3H3,(H2,15,16).
What are the key properties of N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-4-methoxybenzamide?
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-4-methoxybenzamide has a molecular weight of 279.34 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-4-methoxybenzamide is sourced from PubChem (CID 76910706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).