2-amino-N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylpropanamide

C16H17N3O2 — CID 177413584

IUPAC2-amino-N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylpropanamide
SMILESNC(Cc1ccccc1)C(=O)N/N=C/c1ccccc1O
InChIInChI=1S/C16H17N3O2/c17-14(10-12-6-2-1-3-7-12)16(21)19-18-11-13-8-4-5-9-15(13)20/h1-9,11,14,20H,10,17H2,(H,19,21)/b18-11+
InChIKeyXJRNQQMESKNLIS-WOJGMQOQSA-N
MW283.33 g/mol
LogP1.41
Rot. Bonds5

About 2-amino-N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylpropanamide

2-amino-N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylpropanamide (PubChem CID 177413584) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-amino-N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylpropanamide
PubChem CID177413584
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-amino-N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylpropanamide
SMILESNC(Cc1ccccc1)C(=O)N/N=C/c1ccccc1O
InChIInChI=1S/C16H17N3O2/c17-14(10-12-6-2-1-3-7-12)16(21)19-18-11-13-8-4-5-9-15(13)20/h1-9,11,14,20H,10,17H2,(H,19,21)/b18-11+
InChIKeyXJRNQQMESKNLIS-WOJGMQOQSA-N
XLogP1.41
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-3-phenylpropanamide
CID 164718436
(2S)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 135764403
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 135400268
(2R)-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-phenylacetamide
CID 135674788
2-amino-N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-hydroxypropanamide
CID 137255353
(2S)-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide
CID 135688184
2-amino-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-3-(4-hydroxyphenyl)propanamide
CID 135493662
(2S)-2-amino-N-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylideneamino]-3-phenylpropanamide
CID 936687
(2S)-2-amino-N-[(2S)-2-amino-3-phenylpropanoyl]-3-phenylpropanamide
CID 21116073
(2S,3S,4R,5S)-2,3,4,5,6-pentahydroxy-N-[(Z)-(2-hydroxyphenyl)methylideneamino]hexanamide
CID 136810471
3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropanoate
CID 135683195
ethyl N-[(E)-(2-hydroxyphenyl)methylideneamino]carbamate
CID 135478857

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylpropanamide?
The IUPAC name of 2-amino-N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylpropanamide (CID 177413584) is 2-amino-N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylpropanamide.
What is the SMILES notation for 2-amino-N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylpropanamide?
The canonical SMILES for 2-amino-N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylpropanamide is NC(Cc1ccccc1)C(=O)N/N=C/c1ccccc1O.
What is the InChIKey of 2-amino-N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylpropanamide?
The InChIKey is XJRNQQMESKNLIS-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H17N3O2/c17-14(10-12-6-2-1-3-7-12)16(21)19-18-11-13-8-4-5-9-15(13)20/h1-9,11,14,20H,10,17H2,(H,19,21)/b18-11+.
What are the key properties of 2-amino-N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylpropanamide?
2-amino-N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylpropanamide has a molecular weight of 283.33 g/mol, XLogP of 1.41, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylpropanamide is sourced from PubChem (CID 177413584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).