2-phenyl-N-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]acetamide

C20H17N3O — CID 126364361

IUPAC2-phenyl-N-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]acetamide
SMILESC#CCn1cc(/C=N\NC(=O)Cc2ccccc2)c2ccccc21
InChIInChI=1S/C20H17N3O/c1-2-12-23-15-17(18-10-6-7-11-19(18)23)14-21-22-20(24)13-16-8-4-3-5-9-16/h1,3-11,14-15H,12-13H2,(H,22,24)/b21-14-
InChIKeyBFLIAIKHEZTAKX-STZFKDTASA-N
MW315.38 g/mol
LogP2.97
Rot. Bonds5

About 2-phenyl-N-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]acetamide

2-phenyl-N-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]acetamide (PubChem CID 126364361) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is 2-phenyl-N-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-phenyl-N-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]acetamide
PubChem CID126364361
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name2-phenyl-N-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]acetamide
SMILESC#CCn1cc(/C=N\NC(=O)Cc2ccccc2)c2ccccc21
InChIInChI=1S/C20H17N3O/c1-2-12-23-15-17(18-10-6-7-11-19(18)23)14-21-22-20(24)13-16-8-4-3-5-9-16/h1,3-11,14-15H,12-13H2,(H,22,24)/b21-14-
InChIKeyBFLIAIKHEZTAKX-STZFKDTASA-N
XLogP2.97
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

2,2-diphenyl-N-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]acetamide
CID 126395143
2-hydroxy-N-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]benzamide
CID 126378231
N-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]naphthalene-1-carboxamide
CID 126184329
2-(2-methyl-1,3-dioxolan-2-yl)-N-[(E)-(1-prop-2-ynylindol-3-yl)methylideneamino]acetamide
CID 21370421
N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 126150640
5-[[3-[[(2-phenylacetyl)hydrazinylidene]methyl]indol-1-yl]methyl]furan-2-carboxylic acid
CID 4043420
2-(4-bromophenyl)-N-[(Z)-[1-[(4-bromophenyl)methyl]indol-3-yl]methylideneamino]acetamide
CID 98050723
N-[(1-benzylindol-3-yl)methylideneamino]-2-(4-nitrophenyl)acetamide
CID 1049161
N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-cyanoacetamide
CID 5414915
N-[(E)-(1-benzylindol-3-yl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133143816
ethyl 2-[3-[(Z)-[[2-(4-ethylphenyl)acetyl]hydrazinylidene]methyl]indol-1-yl]acetate
CID 126368555
2-(4-chlorophenyl)-N-[(Z)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]acetamide
CID 126149478

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]acetamide?
The IUPAC name of 2-phenyl-N-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]acetamide (CID 126364361) is 2-phenyl-N-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-phenyl-N-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]acetamide?
The canonical SMILES for 2-phenyl-N-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]acetamide is C#CCn1cc(/C=N\NC(=O)Cc2ccccc2)c2ccccc21.
What is the InChIKey of 2-phenyl-N-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]acetamide?
The InChIKey is BFLIAIKHEZTAKX-STZFKDTASA-N. The full InChI is InChI=1S/C20H17N3O/c1-2-12-23-15-17(18-10-6-7-11-19(18)23)14-21-22-20(24)13-16-8-4-3-5-9-16/h1,3-11,14-15H,12-13H2,(H,22,24)/b21-14-.
What are the key properties of 2-phenyl-N-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]acetamide?
2-phenyl-N-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]acetamide has a molecular weight of 315.38 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]acetamide is sourced from PubChem (CID 126364361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).