2-(4-hydroxyphenyl)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]acetamide

C18H17N3O2 — CID 110515655

IUPAC2-(4-hydroxyphenyl)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]acetamide
SMILESCn1cc(/C=N\NC(=O)Cc2ccc(O)cc2)c2ccccc21
InChIInChI=1S/C18H17N3O2/c1-21-12-14(16-4-2-3-5-17(16)21)11-19-20-18(23)10-13-6-8-15(22)9-7-13/h2-9,11-12,22H,10H2,1H3,(H,20,23)/b19-11-
InChIKeyWAWNDNFOQDZFGQ-ODLFYWEKSA-N
MW307.35 g/mol
LogP2.58
Rot. Bonds4

About 2-(4-hydroxyphenyl)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]acetamide

2-(4-hydroxyphenyl)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]acetamide (PubChem CID 110515655) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]acetamide
PubChem CID110515655
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name2-(4-hydroxyphenyl)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]acetamide
SMILESCn1cc(/C=N\NC(=O)Cc2ccc(O)cc2)c2ccccc21
InChIInChI=1S/C18H17N3O2/c1-21-12-14(16-4-2-3-5-17(16)21)11-19-20-18(23)10-13-6-8-15(22)9-7-13/h2-9,11-12,22H,10H2,1H3,(H,20,23)/b19-11-
InChIKeyWAWNDNFOQDZFGQ-ODLFYWEKSA-N
XLogP2.58
TPSA66.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.58
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'}

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Related Compounds

[(Z)-(1-methylindol-3-yl)methylideneamino]urea
CID 5407269
2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]acetamide
CID 110526254
2-(2,6-dimethylphenoxy)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]acetamide
CID 5393275
2-(4-fluoroanilino)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]acetamide
CID 5416866
2-(4-iodoanilino)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]acetamide
CID 126182020
N-[(Z)-(1-methylindol-3-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 5446389
N-[(E)-(1-methylindol-3-yl)methylideneamino]-2-(4-methylphenoxy)acetamide
CID 6865589
2-(4-bromophenyl)-N-[(Z)-[1-[(4-bromophenyl)methyl]indol-3-yl]methylideneamino]acetamide
CID 98050723
2-chloro-N-[(E)-(1-methylindol-3-yl)methylideneamino]benzamide
CID 23476934
N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 126150640
2-(2,3-dimethylphenoxy)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]acetamide
CID 5426229
2-(4-hydroxyphenyl)-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide
CID 110515533

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]acetamide?
The IUPAC name of 2-(4-hydroxyphenyl)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]acetamide (CID 110515655) is 2-(4-hydroxyphenyl)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-hydroxyphenyl)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-hydroxyphenyl)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]acetamide is Cn1cc(/C=N\NC(=O)Cc2ccc(O)cc2)c2ccccc21.
What is the InChIKey of 2-(4-hydroxyphenyl)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]acetamide?
The InChIKey is WAWNDNFOQDZFGQ-ODLFYWEKSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-21-12-14(16-4-2-3-5-17(16)21)11-19-20-18(23)10-13-6-8-15(22)9-7-13/h2-9,11-12,22H,10H2,1H3,(H,20,23)/b19-11-.
What are the key properties of 2-(4-hydroxyphenyl)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]acetamide?
2-(4-hydroxyphenyl)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]acetamide has a molecular weight of 307.35 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]acetamide is sourced from PubChem (CID 110515655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).