N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-methoxybenzamide

C13H17N3O3 — CID 77038556

IUPACN-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC(C(N)=NO)C1CC1
InChIInChI=1S/C13H17N3O3/c1-19-10-5-3-2-4-9(10)13(17)15-11(8-6-7-8)12(14)16-18/h2-5,8,11,18H,6-7H2,1H3,(H2,14,16)(H,15,17)
InChIKeyMGUFMYUXGFCPLH-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.95
Rot. Bonds5

About N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-methoxybenzamide

N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-methoxybenzamide (PubChem CID 77038556) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-methoxybenzamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-methoxybenzamide
PubChem CID77038556
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC NameN-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC(C(N)=NO)C1CC1
InChIInChI=1S/C13H17N3O3/c1-19-10-5-3-2-4-9(10)13(17)15-11(8-6-7-8)12(14)16-18/h2-5,8,11,18H,6-7H2,1H3,(H2,14,16)(H,15,17)
InChIKeyMGUFMYUXGFCPLH-UHFFFAOYSA-N
XLogP0.95
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.95
H-Bond Donors ≤ 53
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-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-hydroxy-3-methoxybenzamide
CID 77038559
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)naphthalene-1-carboxamide
CID 77038961
N-(2-amino-1-cyclopropylethyl)-2-methoxybenzamide
CID 65188794
N-[(2E)-2-amino-1-cyclopropyl-2-hydroxyiminoethyl]-3-chloro-2-fluorobenzamide
CID 81262533
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-5-bromo-2-methylbenzamide
CID 77064909
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-bromo-5-fluorobenzamide
CID 77039184
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-4-methoxythiophene-2-carboxamide
CID 81124648
phenyl N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)carbamate
CID 77038404
N-[(2E)-2-amino-1-cyclopropyl-2-hydroxyiminoethyl]-2-chloro-5-hydroxybenzamide
CID 106502803
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2,4-dichlorobenzamide
CID 77038466
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-3-methylpyridine-2-carboxamide
CID 77038548
N-[(2Z)-2-amino-1-cyclopropyl-2-hydroxyiminoethyl]-1-methylpyrazole-3-carboxamide
CID 103121556

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-methoxybenzamide?
The IUPAC name of N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-methoxybenzamide (CID 77038556) is N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-methoxybenzamide.
What is the SMILES notation for N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-methoxybenzamide?
The canonical SMILES for N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-methoxybenzamide is COc1ccccc1C(=O)NC(C(N)=NO)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-methoxybenzamide?
The InChIKey is MGUFMYUXGFCPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-19-10-5-3-2-4-9(10)13(17)15-11(8-6-7-8)12(14)16-18/h2-5,8,11,18H,6-7H2,1H3,(H2,14,16)(H,15,17).
What are the key properties of N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-methoxybenzamide?
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-methoxybenzamide has a molecular weight of 263.30 g/mol, XLogP of 0.95, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-methoxybenzamide is sourced from PubChem (CID 77038556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).