2-(4-ethoxyanilino)-N-[(E)-1-phenylethylideneamino]acetamide

C18H21N3O2 — CID 5421634

IUPAC2-(4-ethoxyanilino)-N-[(E)-1-phenylethylideneamino]acetamide
SMILESCCOc1ccc(NCC(=O)N/N=C(\C)c2ccccc2)cc1
InChIInChI=1S/C18H21N3O2/c1-3-23-17-11-9-16(10-12-17)19-13-18(22)21-20-14(2)15-7-5-4-6-8-15/h4-12,19H,3,13H2,1-2H3,(H,21,22)/b20-14+
InChIKeyCXLYMIINKJVLMX-XSFVSMFZSA-N
MW311.38 g/mol
LogP3.04
Rot. Bonds7

About 2-(4-ethoxyanilino)-N-[(E)-1-phenylethylideneamino]acetamide

2-(4-ethoxyanilino)-N-[(E)-1-phenylethylideneamino]acetamide (PubChem CID 5421634) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-(4-ethoxyanilino)-N-[(E)-1-phenylethylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-ethoxyanilino)-N-[(E)-1-phenylethylideneamino]acetamide
PubChem CID5421634
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name2-(4-ethoxyanilino)-N-[(E)-1-phenylethylideneamino]acetamide
SMILESCCOc1ccc(NCC(=O)N/N=C(\C)c2ccccc2)cc1
InChIInChI=1S/C18H21N3O2/c1-3-23-17-11-9-16(10-12-17)19-13-18(22)21-20-14(2)15-7-5-4-6-8-15/h4-12,19H,3,13H2,1-2H3,(H,21,22)/b20-14+
InChIKeyCXLYMIINKJVLMX-XSFVSMFZSA-N
XLogP3.04
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethoxyanilino)-N-[(E)-1-(4-methylphenyl)ethylideneamino]acetamide
CID 5421665
2-anilino-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 7784236
N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-2-phenylacetamide
CID 5399435
N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide
CID 912000
N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-2-(4-methoxyanilino)acetamide
CID 136742559
N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-2-(N-methylanilino)acetamide
CID 171978970
2-phenoxy-N-(1-phenylethylideneamino)acetamide
CID 3448907
2-(4-ethylphenoxy)-N-(1-phenylethylideneamino)acetamide
CID 905266
2-(4-ethoxyanilino)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide
CID 5421688
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-anilinoacetamide
CID 7933322
4-(4-methoxyanilino)-N-[(Z)-1-phenylethylideneamino]butanamide
CID 6380566
N-[3-[[2-(4-ethoxyanilino)acetyl]amino]phenyl]benzamide
CID 54811131

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyanilino)-N-[(E)-1-phenylethylideneamino]acetamide?
The IUPAC name of 2-(4-ethoxyanilino)-N-[(E)-1-phenylethylideneamino]acetamide (CID 5421634) is 2-(4-ethoxyanilino)-N-[(E)-1-phenylethylideneamino]acetamide.
What is the SMILES notation for 2-(4-ethoxyanilino)-N-[(E)-1-phenylethylideneamino]acetamide?
The canonical SMILES for 2-(4-ethoxyanilino)-N-[(E)-1-phenylethylideneamino]acetamide is CCOc1ccc(NCC(=O)N/N=C(\C)c2ccccc2)cc1.
What is the InChIKey of 2-(4-ethoxyanilino)-N-[(E)-1-phenylethylideneamino]acetamide?
The InChIKey is CXLYMIINKJVLMX-XSFVSMFZSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-3-23-17-11-9-16(10-12-17)19-13-18(22)21-20-14(2)15-7-5-4-6-8-15/h4-12,19H,3,13H2,1-2H3,(H,21,22)/b20-14+.
What are the key properties of 2-(4-ethoxyanilino)-N-[(E)-1-phenylethylideneamino]acetamide?
2-(4-ethoxyanilino)-N-[(E)-1-phenylethylideneamino]acetamide has a molecular weight of 311.38 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyanilino)-N-[(E)-1-phenylethylideneamino]acetamide is sourced from PubChem (CID 5421634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).