(3Z)-3-amino-3-hydroxyimino-N-(4-methoxyphenyl)propanamide

C10H13N3O3 — CID 16762435

IUPAC(3Z)-3-amino-3-hydroxyimino-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)C/C(N)=N/O)cc1
InChIInChI=1S/C10H13N3O3/c1-16-8-4-2-7(3-5-8)12-10(14)6-9(11)13-15/h2-5,15H,6H2,1H3,(H2,11,13)(H,12,14)
InChIKeyRYCREXDIOBQPIH-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.77
Rot. Bonds4

About (3Z)-3-amino-3-hydroxyimino-N-(4-methoxyphenyl)propanamide

(3Z)-3-amino-3-hydroxyimino-N-(4-methoxyphenyl)propanamide (PubChem CID 16762435) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is (3Z)-3-amino-3-hydroxyimino-N-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name(3Z)-3-amino-3-hydroxyimino-N-(4-methoxyphenyl)propanamide
PubChem CID16762435
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name(3Z)-3-amino-3-hydroxyimino-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)C/C(N)=N/O)cc1
InChIInChI=1S/C10H13N3O3/c1-16-8-4-2-7(3-5-8)12-10(14)6-9(11)13-15/h2-5,15H,6H2,1H3,(H2,11,13)(H,12,14)
InChIKeyRYCREXDIOBQPIH-UHFFFAOYSA-N
XLogP0.77
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.77
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-[4-(2-amino-2-hydroxyiminoethoxy)phenyl]-2-methoxyacetamide
CID 61277783
(3E)-3-amino-N-(2,5-dimethoxyphenyl)-3-hydroxyiminopropanamide
CID 42588010
N'-(4-methoxyphenyl)-N-phenylpropanediamide
CID 15154641
(3Z)-3-amino-3-hydroxyimino-N-(6-methoxy-3-pyridinyl)propanamide
CID 43156078
(3Z)-3-amino-N-(4-fluoro-3-methoxyphenyl)-3-hydroxyiminopropanamide
CID 114840498
N,3-bis(4-methoxyphenyl)-3-oxopropanamide
CID 23763529
[2-(4-methoxyanilino)-2-oxoethyl] propanoate
CID 7851370
N-(4-methoxyphenyl)-4-methyl-3-oxopentanamide
CID 10752233
N,N'-bis(4-methoxyphenyl)dodecanediamide
CID 5187461
[2-(4-methoxyanilino)-2-oxoethyl]carbamic acid
CID 67025275
1,3-bis(4-methoxyphenyl)urea
CID 139045428
4-(4-methoxyanilino)-4-oxobutanoyl chloride
CID 82041607

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-amino-3-hydroxyimino-N-(4-methoxyphenyl)propanamide?
The IUPAC name of (3Z)-3-amino-3-hydroxyimino-N-(4-methoxyphenyl)propanamide (CID 16762435) is (3Z)-3-amino-3-hydroxyimino-N-(4-methoxyphenyl)propanamide.
What is the SMILES notation for (3Z)-3-amino-3-hydroxyimino-N-(4-methoxyphenyl)propanamide?
The canonical SMILES for (3Z)-3-amino-3-hydroxyimino-N-(4-methoxyphenyl)propanamide is COc1ccc(NC(=O)C/C(N)=N/O)cc1.
What is the InChIKey of (3Z)-3-amino-3-hydroxyimino-N-(4-methoxyphenyl)propanamide?
The InChIKey is RYCREXDIOBQPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-16-8-4-2-7(3-5-8)12-10(14)6-9(11)13-15/h2-5,15H,6H2,1H3,(H2,11,13)(H,12,14).
What are the key properties of (3Z)-3-amino-3-hydroxyimino-N-(4-methoxyphenyl)propanamide?
(3Z)-3-amino-3-hydroxyimino-N-(4-methoxyphenyl)propanamide has a molecular weight of 223.23 g/mol, XLogP of 0.77, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-amino-3-hydroxyimino-N-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 16762435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).