(2S)-2-hydroxy-2-phenyl-N-[(Z)-(3-prop-2-ynoxyphenyl)methylideneamino]acetamide

C18H16N2O3 — CID 126349644

IUPAC(2S)-2-hydroxy-2-phenyl-N-[(Z)-(3-prop-2-ynoxyphenyl)methylideneamino]acetamide
SMILESC#CCOc1cccc(/C=N\NC(=O)[C@@H](O)c2ccccc2)c1
InChIInChI=1S/C18H16N2O3/c1-2-11-23-16-10-6-7-14(12-16)13-19-20-18(22)17(21)15-8-4-3-5-9-15/h1,3-10,12-13,17,21H,11H2,(H,20,22)/b19-13-/t17-/m0/s1
InChIKeyIHUCBNFPPIOKFV-NFBGKYEXSA-N
MW308.34 g/mol
LogP1.88
Rot. Bonds6

About (2S)-2-hydroxy-2-phenyl-N-[(Z)-(3-prop-2-ynoxyphenyl)methylideneamino]acetamide

(2S)-2-hydroxy-2-phenyl-N-[(Z)-(3-prop-2-ynoxyphenyl)methylideneamino]acetamide (PubChem CID 126349644) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is (2S)-2-hydroxy-2-phenyl-N-[(Z)-(3-prop-2-ynoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name(2S)-2-hydroxy-2-phenyl-N-[(Z)-(3-prop-2-ynoxyphenyl)methylideneamino]acetamide
PubChem CID126349644
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name(2S)-2-hydroxy-2-phenyl-N-[(Z)-(3-prop-2-ynoxyphenyl)methylideneamino]acetamide
SMILESC#CCOc1cccc(/C=N\NC(=O)[C@@H](O)c2ccccc2)c1
InChIInChI=1S/C18H16N2O3/c1-2-11-23-16-10-6-7-14(12-16)13-19-20-18(22)17(21)15-8-4-3-5-9-15/h1,3-10,12-13,17,21H,11H2,(H,20,22)/b19-13-/t17-/m0/s1
InChIKeyIHUCBNFPPIOKFV-NFBGKYEXSA-N
XLogP1.88
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (2S)-2-hydroxy-2-phenyl-N-[(Z)-(3-prop-2-ynoxyphenyl)methylideneamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-[(3-bromophenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 905815
[3-[(Z)-[[(2S)-2-hydroxy-2-phenylacetyl]hydrazinylidene]methyl]phenyl] 3,4,5-trimethoxybenzoate
CID 5444309
(2S)-N-[[3-[2-(dihydroxyamino)-4-(dioxidoamino)phenoxy]phenyl]methylideneamino]-2-hydroxy-2-phenylacetamide
CID 163181803
(2R)-2-hydroxy-2-phenyl-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 1368192
(2R)-2-hydroxy-N-[(3-nitrophenyl)methylideneamino]-2-phenylacetamide
CID 129441465
N-[(3,4-dihydroxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 4618895
(2S)-2-methoxy-2-phenyl-N-[(Z)-(3-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 7330109
(2R)-2-hydroxy-N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-phenylacetamide
CID 40516770
(2R)-N-[(Z)-(2,4-diethoxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 126272234
3-ethoxy-4-phenylmethoxy-N-[(E)-(3-prop-2-ynoxyphenyl)methylideneamino]benzamide
CID 126326615
(2S)-2-hydroxy-N-[(E)-(4-pentoxyphenyl)methylideneamino]-2-phenylacetamide
CID 51671415
methyl 2-[4-[(Z)-[[(2R)-2-hydroxy-2-phenylacetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 126267893

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-2-phenyl-N-[(Z)-(3-prop-2-ynoxyphenyl)methylideneamino]acetamide?
The IUPAC name of (2S)-2-hydroxy-2-phenyl-N-[(Z)-(3-prop-2-ynoxyphenyl)methylideneamino]acetamide (CID 126349644) is (2S)-2-hydroxy-2-phenyl-N-[(Z)-(3-prop-2-ynoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for (2S)-2-hydroxy-2-phenyl-N-[(Z)-(3-prop-2-ynoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for (2S)-2-hydroxy-2-phenyl-N-[(Z)-(3-prop-2-ynoxyphenyl)methylideneamino]acetamide is C#CCOc1cccc(/C=N\NC(=O)[C@@H](O)c2ccccc2)c1.
What is the InChIKey of (2S)-2-hydroxy-2-phenyl-N-[(Z)-(3-prop-2-ynoxyphenyl)methylideneamino]acetamide?
The InChIKey is IHUCBNFPPIOKFV-NFBGKYEXSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-2-11-23-16-10-6-7-14(12-16)13-19-20-18(22)17(21)15-8-4-3-5-9-15/h1,3-10,12-13,17,21H,11H2,(H,20,22)/b19-13-/t17-/m0/s1.
What are the key properties of (2S)-2-hydroxy-2-phenyl-N-[(Z)-(3-prop-2-ynoxyphenyl)methylideneamino]acetamide?
(2S)-2-hydroxy-2-phenyl-N-[(Z)-(3-prop-2-ynoxyphenyl)methylideneamino]acetamide has a molecular weight of 308.34 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-2-phenyl-N-[(Z)-(3-prop-2-ynoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 126349644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).