(3E)-3-amino-3-hydroxyimino-2-phenyl-N-(2,4,6-trimethoxyphenyl)propanamide

C18H21N3O5 — CID 10546372

IUPAC(3E)-3-amino-3-hydroxyimino-2-phenyl-N-(2,4,6-trimethoxyphenyl)propanamide
SMILESCOc1cc(OC)c(NC(=O)C(/C(N)=N\O)c2ccccc2)c(OC)c1
InChIInChI=1S/C18H21N3O5/c1-24-12-9-13(25-2)16(14(10-12)26-3)20-18(22)15(17(19)21-23)11-7-5-4-6-8-11/h4-10,15,23H,1-3H3,(H2,19,21)(H,20,22)
InChIKeyOJYHUTLFRXFTRI-UHFFFAOYSA-N
MW359.38 g/mol
LogP2.18
Rot. Bonds7

About (3E)-3-amino-3-hydroxyimino-2-phenyl-N-(2,4,6-trimethoxyphenyl)propanamide

(3E)-3-amino-3-hydroxyimino-2-phenyl-N-(2,4,6-trimethoxyphenyl)propanamide (PubChem CID 10546372) has the molecular formula C18H21N3O5 and a molecular weight of 359.38 g/mol. Its IUPAC name is (3E)-3-amino-3-hydroxyimino-2-phenyl-N-(2,4,6-trimethoxyphenyl)propanamide.

Molecular Properties

Compound Name(3E)-3-amino-3-hydroxyimino-2-phenyl-N-(2,4,6-trimethoxyphenyl)propanamide
PubChem CID10546372
Molecular FormulaC18H21N3O5
Molecular Weight359.38 g/mol
Exact Mass359.15
IUPAC Name(3E)-3-amino-3-hydroxyimino-2-phenyl-N-(2,4,6-trimethoxyphenyl)propanamide
SMILESCOc1cc(OC)c(NC(=O)C(/C(N)=N\O)c2ccccc2)c(OC)c1
InChIInChI=1S/C18H21N3O5/c1-24-12-9-13(25-2)16(14(10-12)26-3)20-18(22)15(17(19)21-23)11-7-5-4-6-8-11/h4-10,15,23H,1-3H3,(H2,19,21)(H,20,22)
InChIKeyOJYHUTLFRXFTRI-UHFFFAOYSA-N
XLogP2.18
TPSA115.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

(3Z)-3-amino-3-hydroxyimino-2-phenyl-N-propan-2-ylpropanamide
CID 55128874
3-amino-3-hydroxyimino-N-pentan-3-yl-2-phenylpropanamide
CID 76975352
2-[amino(tridecanoyl)amino]-2-phenyl-N-(2,4,6-trimethoxyphenyl)acetamide
CID 67723815
3-phenyl-2-(2H-tetrazol-5-yl)-N-(2,4,6-trimethoxyphenyl)propanamide
CID 70114803
3-cyano-3-phenyl-N-(2,4,6-trimethoxyphenyl)propanamide
CID 86748282
3-(2-dodecyltetrazol-5-yl)-2-phenyl-N-(2,4,6-trimethoxyphenyl)propanamide
CID 70116195
(3Z)-3-amino-3-hydroxyimino-N-(3-methylpentan-3-yl)-2-phenylpropanamide
CID 106330934
3-amino-N-(2-methoxyphenyl)-2-phenyl-3-sulfanylidenepropanamide
CID 62877208
(3Z)-3-amino-3-hydroxyimino-N-methyl-2-phenyl-N-propan-2-ylpropanamide
CID 55128922
2-oxo-2-(2,4,6-trimethoxyanilino)acetic acid
CID 82499633
2-amino-3-(2,4-dimethoxy-6-methylanilino)-3-oxopropanoic acid
CID 115179144
(2,4,6-trimethoxyphenyl)carbamothioic S-acid
CID 115169717

Frequently Asked Questions

What is the IUPAC name of (3E)-3-amino-3-hydroxyimino-2-phenyl-N-(2,4,6-trimethoxyphenyl)propanamide?
The IUPAC name of (3E)-3-amino-3-hydroxyimino-2-phenyl-N-(2,4,6-trimethoxyphenyl)propanamide (CID 10546372) is (3E)-3-amino-3-hydroxyimino-2-phenyl-N-(2,4,6-trimethoxyphenyl)propanamide.
What is the SMILES notation for (3E)-3-amino-3-hydroxyimino-2-phenyl-N-(2,4,6-trimethoxyphenyl)propanamide?
The canonical SMILES for (3E)-3-amino-3-hydroxyimino-2-phenyl-N-(2,4,6-trimethoxyphenyl)propanamide is COc1cc(OC)c(NC(=O)C(/C(N)=N\O)c2ccccc2)c(OC)c1.
What is the InChIKey of (3E)-3-amino-3-hydroxyimino-2-phenyl-N-(2,4,6-trimethoxyphenyl)propanamide?
The InChIKey is OJYHUTLFRXFTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5/c1-24-12-9-13(25-2)16(14(10-12)26-3)20-18(22)15(17(19)21-23)11-7-5-4-6-8-11/h4-10,15,23H,1-3H3,(H2,19,21)(H,20,22).
What are the key properties of (3E)-3-amino-3-hydroxyimino-2-phenyl-N-(2,4,6-trimethoxyphenyl)propanamide?
(3E)-3-amino-3-hydroxyimino-2-phenyl-N-(2,4,6-trimethoxyphenyl)propanamide has a molecular weight of 359.38 g/mol, XLogP of 2.18, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-amino-3-hydroxyimino-2-phenyl-N-(2,4,6-trimethoxyphenyl)propanamide is sourced from PubChem (CID 10546372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).