N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-3-propoxybenzamide

C14H21N3O3 — CID 76977885

IUPACN-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)N(C)C(C)C(N)=NO)c1
InChIInChI=1S/C14H21N3O3/c1-4-8-20-12-7-5-6-11(9-12)14(18)17(3)10(2)13(15)16-19/h5-7,9-10,19H,4,8H2,1-3H3,(H2,15,16)
InChIKeyFLKGOXHVXOBXJA-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.68
Rot. Bonds6

About N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-3-propoxybenzamide

N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-3-propoxybenzamide (PubChem CID 76977885) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-3-propoxybenzamide.

Molecular Properties

Compound NameN-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-3-propoxybenzamide
PubChem CID76977885
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)N(C)C(C)C(N)=NO)c1
InChIInChI=1S/C14H21N3O3/c1-4-8-20-12-7-5-6-11(9-12)14(18)17(3)10(2)13(15)16-19/h5-7,9-10,19H,4,8H2,1-3H3,(H2,15,16)
InChIKeyFLKGOXHVXOBXJA-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
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-(4-amino-4-sulfanylidenebutan-2-yl)-N-methyl-3-propoxybenzamide
CID 63223603
N,N-dimethyl-3-propoxybenzamide
CID 28639811
3-propoxybenzamide
CID 22311435
N-(cyanomethyl)-N-methyl-3-propoxybenzamide
CID 62253083
N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-3-phenoxypropanamide
CID 76928336
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-methyl-3-propan-2-yloxybenzamide
CID 76977902
N-(2-cyanopropyl)-N-methyl-3-propoxybenzamide
CID 55124980
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-3-propoxybenzamide
CID 77039305
N-(3-amino-2-methylpropyl)-N-ethyl-3-propoxybenzamide
CID 62919665
N-(3-aminophenyl)-N-methyl-3-propoxybenzamide
CID 62918808
2-propan-2-yloxy-1-(3-propoxyphenyl)ethanone
CID 115785301
N-(1-amino-1-hydroxyiminopropan-2-yl)-2,6-dimethoxy-N-methylbenzamide
CID 76928224

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-3-propoxybenzamide?
The IUPAC name of N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-3-propoxybenzamide (CID 76977885) is N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-3-propoxybenzamide.
What is the SMILES notation for N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-3-propoxybenzamide?
The canonical SMILES for N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-3-propoxybenzamide is CCCOc1cccc(C(=O)N(C)C(C)C(N)=NO)c1.
What is the InChIKey of N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-3-propoxybenzamide?
The InChIKey is FLKGOXHVXOBXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-4-8-20-12-7-5-6-11(9-12)14(18)17(3)10(2)13(15)16-19/h5-7,9-10,19H,4,8H2,1-3H3,(H2,15,16).
What are the key properties of N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-3-propoxybenzamide?
N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-3-propoxybenzamide has a molecular weight of 279.34 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-3-propoxybenzamide is sourced from PubChem (CID 76977885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).