2-anilino-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]acetamide

C18H21N3O — CID 7784431

IUPAC2-anilino-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]acetamide
SMILESCC(C)c1ccc(/C=N\NC(=O)CNc2ccccc2)cc1
InChIInChI=1S/C18H21N3O/c1-14(2)16-10-8-15(9-11-16)12-20-21-18(22)13-19-17-6-4-3-5-7-17/h3-12,14,19H,13H2,1-2H3,(H,21,22)/b20-12-
InChIKeyXNEUVFXPDOPHRK-NDENLUEZSA-N
MW295.39 g/mol
LogP3.37
Rot. Bonds6

About 2-anilino-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]acetamide

2-anilino-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]acetamide (PubChem CID 7784431) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-anilino-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-anilino-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]acetamide
PubChem CID7784431
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name2-anilino-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]acetamide
SMILESCC(C)c1ccc(/C=N\NC(=O)CNc2ccccc2)cc1
InChIInChI=1S/C18H21N3O/c1-14(2)16-10-8-15(9-11-16)12-20-21-18(22)13-19-17-6-4-3-5-7-17/h3-12,14,19H,13H2,1-2H3,(H,21,22)/b20-12-
InChIKeyXNEUVFXPDOPHRK-NDENLUEZSA-N
XLogP3.37
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.37
H-Bond Donors ≤ 52
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

2-anilino-N-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]acetamide
CID 4521750
2-anilino-N-[(Z)-(4-anilinophenyl)methylideneamino]acetamide
CID 7601999
2-(3,4-dichloroanilino)-N-[(4-propan-2-ylphenyl)methylideneamino]acetamide
CID 5016763
N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
CID 7929512
N-(benzylideneamino)-2-(4-methylanilino)acetamide
CID 689462
1-phenyl-3-[(Z)-(4-propan-2-ylphenyl)methylideneamino]urea
CID 5418172
2-(4-chloroanilino)-N-[(4-chlorophenyl)methylideneamino]acetamide
CID 690289
N-[(4-chlorophenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 689465
N-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]-2-(naphthalen-2-ylamino)acetamide
CID 4545872
2-(3-methylanilino)-N-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]acetamide
CID 3473753
N-(2-methylphenyl)-N'-[(4-propan-2-ylphenyl)methylideneamino]propanediamide
CID 3655252
2-anilino-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136867320

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]acetamide?
The IUPAC name of 2-anilino-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]acetamide (CID 7784431) is 2-anilino-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-anilino-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-anilino-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]acetamide is CC(C)c1ccc(/C=N\NC(=O)CNc2ccccc2)cc1.
What is the InChIKey of 2-anilino-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]acetamide?
The InChIKey is XNEUVFXPDOPHRK-NDENLUEZSA-N. The full InChI is InChI=1S/C18H21N3O/c1-14(2)16-10-8-15(9-11-16)12-20-21-18(22)13-19-17-6-4-3-5-7-17/h3-12,14,19H,13H2,1-2H3,(H,21,22)/b20-12-.
What are the key properties of 2-anilino-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]acetamide?
2-anilino-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]acetamide has a molecular weight of 295.39 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]acetamide is sourced from PubChem (CID 7784431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).