2-(2,5-dimethylphenyl)-N-[(Z)-(1-ethylindol-3-yl)methylideneamino]acetamide

C21H23N3O — CID 126364382

IUPAC2-(2,5-dimethylphenyl)-N-[(Z)-(1-ethylindol-3-yl)methylideneamino]acetamide
SMILESCCn1cc(/C=N\NC(=O)Cc2cc(C)ccc2C)c2ccccc21
InChIInChI=1S/C21H23N3O/c1-4-24-14-18(19-7-5-6-8-20(19)24)13-22-23-21(25)12-17-11-15(2)9-10-16(17)3/h5-11,13-14H,4,12H2,1-3H3,(H,23,25)/b22-13-
InChIKeyBIENJRYQHIMMTQ-XKZIYDEJSA-N
MW333.44 g/mol
LogP3.97
Rot. Bonds5

About 2-(2,5-dimethylphenyl)-N-[(Z)-(1-ethylindol-3-yl)methylideneamino]acetamide

2-(2,5-dimethylphenyl)-N-[(Z)-(1-ethylindol-3-yl)methylideneamino]acetamide (PubChem CID 126364382) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-N-[(Z)-(1-ethylindol-3-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-N-[(Z)-(1-ethylindol-3-yl)methylideneamino]acetamide
PubChem CID126364382
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name2-(2,5-dimethylphenyl)-N-[(Z)-(1-ethylindol-3-yl)methylideneamino]acetamide
SMILESCCn1cc(/C=N\NC(=O)Cc2cc(C)ccc2C)c2ccccc21
InChIInChI=1S/C21H23N3O/c1-4-24-14-18(19-7-5-6-8-20(19)24)13-22-23-21(25)12-17-11-15(2)9-10-16(17)3/h5-11,13-14H,4,12H2,1-3H3,(H,23,25)/b22-13-
InChIKeyBIENJRYQHIMMTQ-XKZIYDEJSA-N
XLogP3.97
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.97
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'}

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Related Compounds

N-[(E)-(1-benzylindol-3-yl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133143816
N-[(E)-[1-[(2-chlorophenyl)methyl]indol-3-yl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133143817
2-(2,4-dimethylphenyl)-N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]acetamide
CID 92657719
2-(3,4-dimethoxyphenyl)-N-[(Z)-(1-ethylindol-3-yl)methylideneamino]acetamide
CID 6107555
[(Z)-(1-ethylindol-3-yl)methylideneamino]urea
CID 71670103
N-[(Z)-(1-ethylindol-3-yl)methylideneamino]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 110526255
2-(3,4-dimethylphenyl)-N-[[1-[(4-iodophenyl)methyl]indol-3-yl]methylideneamino]acetamide
CID 5033180
2-(4-chlorophenyl)-N-[(Z)-[1-[(2-methylphenyl)methyl]indol-3-yl]methylideneamino]acetamide
CID 126373063
2-(3,4-dimethoxyphenyl)-N-[(Z)-[1-[(4-methylphenyl)methyl]indol-3-yl]methylideneamino]acetamide
CID 6243634
N-[(Z)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2-(4-methylphenyl)acetamide
CID 126365049
2-amino-N-[(Z)-(1-ethylindol-3-yl)methylideneamino]benzamide
CID 110512121
ethyl 2-[3-[(Z)-[[2-(4-ethylphenyl)acetyl]hydrazinylidene]methyl]indol-1-yl]acetate
CID 126368555

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-N-[(Z)-(1-ethylindol-3-yl)methylideneamino]acetamide?
The IUPAC name of 2-(2,5-dimethylphenyl)-N-[(Z)-(1-ethylindol-3-yl)methylideneamino]acetamide (CID 126364382) is 2-(2,5-dimethylphenyl)-N-[(Z)-(1-ethylindol-3-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-N-[(Z)-(1-ethylindol-3-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(2,5-dimethylphenyl)-N-[(Z)-(1-ethylindol-3-yl)methylideneamino]acetamide is CCn1cc(/C=N\NC(=O)Cc2cc(C)ccc2C)c2ccccc21.
What is the InChIKey of 2-(2,5-dimethylphenyl)-N-[(Z)-(1-ethylindol-3-yl)methylideneamino]acetamide?
The InChIKey is BIENJRYQHIMMTQ-XKZIYDEJSA-N. The full InChI is InChI=1S/C21H23N3O/c1-4-24-14-18(19-7-5-6-8-20(19)24)13-22-23-21(25)12-17-11-15(2)9-10-16(17)3/h5-11,13-14H,4,12H2,1-3H3,(H,23,25)/b22-13-.
What are the key properties of 2-(2,5-dimethylphenyl)-N-[(Z)-(1-ethylindol-3-yl)methylideneamino]acetamide?
2-(2,5-dimethylphenyl)-N-[(Z)-(1-ethylindol-3-yl)methylideneamino]acetamide has a molecular weight of 333.44 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-N-[(Z)-(1-ethylindol-3-yl)methylideneamino]acetamide is sourced from PubChem (CID 126364382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).