(3Z)-3-amino-N-(2-ethylphenyl)-3-hydroxyiminopropanamide

C11H15N3O2 — CID 43156118

IUPAC(3Z)-3-amino-N-(2-ethylphenyl)-3-hydroxyiminopropanamide
SMILESCCc1ccccc1NC(=O)C/C(N)=N/O
InChIInChI=1S/C11H15N3O2/c1-2-8-5-3-4-6-9(8)13-11(15)7-10(12)14-16/h3-6,16H,2,7H2,1H3,(H2,12,14)(H,13,15)
InChIKeyDTFCPRQRJUONMS-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.32
Rot. Bonds4

About (3Z)-3-amino-N-(2-ethylphenyl)-3-hydroxyiminopropanamide

(3Z)-3-amino-N-(2-ethylphenyl)-3-hydroxyiminopropanamide (PubChem CID 43156118) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is (3Z)-3-amino-N-(2-ethylphenyl)-3-hydroxyiminopropanamide.

Molecular Properties

Compound Name(3Z)-3-amino-N-(2-ethylphenyl)-3-hydroxyiminopropanamide
PubChem CID43156118
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name(3Z)-3-amino-N-(2-ethylphenyl)-3-hydroxyiminopropanamide
SMILESCCc1ccccc1NC(=O)C/C(N)=N/O
InChIInChI=1S/C11H15N3O2/c1-2-8-5-3-4-6-9(8)13-11(15)7-10(12)14-16/h3-6,16H,2,7H2,1H3,(H2,12,14)(H,13,15)
InChIKeyDTFCPRQRJUONMS-UHFFFAOYSA-N
XLogP1.32
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.32
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-amino-N-(2-ethylphenyl)-3-hydroxyiminopropanamide?
The IUPAC name of (3Z)-3-amino-N-(2-ethylphenyl)-3-hydroxyiminopropanamide (CID 43156118) is (3Z)-3-amino-N-(2-ethylphenyl)-3-hydroxyiminopropanamide.
What is the SMILES notation for (3Z)-3-amino-N-(2-ethylphenyl)-3-hydroxyiminopropanamide?
The canonical SMILES for (3Z)-3-amino-N-(2-ethylphenyl)-3-hydroxyiminopropanamide is CCc1ccccc1NC(=O)C/C(N)=N/O.
What is the InChIKey of (3Z)-3-amino-N-(2-ethylphenyl)-3-hydroxyiminopropanamide?
The InChIKey is DTFCPRQRJUONMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-2-8-5-3-4-6-9(8)13-11(15)7-10(12)14-16/h3-6,16H,2,7H2,1H3,(H2,12,14)(H,13,15).
What are the key properties of (3Z)-3-amino-N-(2-ethylphenyl)-3-hydroxyiminopropanamide?
(3Z)-3-amino-N-(2-ethylphenyl)-3-hydroxyiminopropanamide has a molecular weight of 221.26 g/mol, XLogP of 1.32, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-amino-N-(2-ethylphenyl)-3-hydroxyiminopropanamide is sourced from PubChem (CID 43156118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).