N-[(E)-1-(2,4-dimethyl-1H-pyrrol-3-yl)ethylideneamino]-2-(4-ethylphenoxy)acetamide

C18H23N3O2 — CID 135722958

IUPACN-[(E)-1-(2,4-dimethyl-1H-pyrrol-3-yl)ethylideneamino]-2-(4-ethylphenoxy)acetamide
SMILESCCc1ccc(OCC(=O)N/N=C(\C)c2c(C)c[nH]c2C)cc1
InChIInChI=1S/C18H23N3O2/c1-5-15-6-8-16(9-7-15)23-11-17(22)21-20-14(4)18-12(2)10-19-13(18)3/h6-10,19H,5,11H2,1-4H3,(H,21,22)/b20-14+
InChIKeyUEDCLFVENGUEQK-XSFVSMFZSA-N
MW313.40 g/mol
LogP3.11
Rot. Bonds6

About N-[(E)-1-(2,4-dimethyl-1H-pyrrol-3-yl)ethylideneamino]-2-(4-ethylphenoxy)acetamide

N-[(E)-1-(2,4-dimethyl-1H-pyrrol-3-yl)ethylideneamino]-2-(4-ethylphenoxy)acetamide (PubChem CID 135722958) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[(E)-1-(2,4-dimethyl-1H-pyrrol-3-yl)ethylideneamino]-2-(4-ethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-1-(2,4-dimethyl-1H-pyrrol-3-yl)ethylideneamino]-2-(4-ethylphenoxy)acetamide
PubChem CID135722958
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-[(E)-1-(2,4-dimethyl-1H-pyrrol-3-yl)ethylideneamino]-2-(4-ethylphenoxy)acetamide
SMILESCCc1ccc(OCC(=O)N/N=C(\C)c2c(C)c[nH]c2C)cc1
InChIInChI=1S/C18H23N3O2/c1-5-15-6-8-16(9-7-15)23-11-17(22)21-20-14(4)18-12(2)10-19-13(18)3/h6-10,19H,5,11H2,1-4H3,(H,21,22)/b20-14+
InChIKeyUEDCLFVENGUEQK-XSFVSMFZSA-N
XLogP3.11
TPSA66.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.11
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-(2,6-dimethylphenoxy)-N-[(E)-1-(2,4-dimethyl-1H-pyrrol-3-yl)ethylideneamino]acetamide
CID 135710565
2-(4-ethylphenoxy)-N-(1-phenylethylideneamino)acetamide
CID 905266
2-(4-ethylphenoxy)-N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]acetamide
CID 135575983
2-(4-cyanophenoxy)-N-[(Z)-1-(4-ethylphenyl)ethylideneamino]acetamide
CID 9316462
5-[(Z)-N-[[2-(4-ethylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]thiophene-2-carboxylate
CID 8826467
N-[1-(4-ethylphenyl)ethylideneamino]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
CID 3954033
N-[(Z)-1-phenylethylideneamino]-2-(4-propylphenoxy)acetamide
CID 6008008
N-[(Z)-1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylideneamino]-2-(4-ethylphenoxy)acetamide
CID 9357688
2-(3-chlorophenoxy)-N-[(E)-1-(4-ethylphenyl)ethylideneamino]acetamide
CID 7334037
1-(4-ethylphenoxy)propan-2-one
CID 21325379
2-(4-ethylphenoxy)-N-methoxyacetamide
CID 60716979
2-(4-ethylphenoxy)-N-(pyridin-4-ylmethylideneamino)acetamide
CID 2695082

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(2,4-dimethyl-1H-pyrrol-3-yl)ethylideneamino]-2-(4-ethylphenoxy)acetamide?
The IUPAC name of N-[(E)-1-(2,4-dimethyl-1H-pyrrol-3-yl)ethylideneamino]-2-(4-ethylphenoxy)acetamide (CID 135722958) is N-[(E)-1-(2,4-dimethyl-1H-pyrrol-3-yl)ethylideneamino]-2-(4-ethylphenoxy)acetamide.
What is the SMILES notation for N-[(E)-1-(2,4-dimethyl-1H-pyrrol-3-yl)ethylideneamino]-2-(4-ethylphenoxy)acetamide?
The canonical SMILES for N-[(E)-1-(2,4-dimethyl-1H-pyrrol-3-yl)ethylideneamino]-2-(4-ethylphenoxy)acetamide is CCc1ccc(OCC(=O)N/N=C(\C)c2c(C)c[nH]c2C)cc1.
What is the InChIKey of N-[(E)-1-(2,4-dimethyl-1H-pyrrol-3-yl)ethylideneamino]-2-(4-ethylphenoxy)acetamide?
The InChIKey is UEDCLFVENGUEQK-XSFVSMFZSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-5-15-6-8-16(9-7-15)23-11-17(22)21-20-14(4)18-12(2)10-19-13(18)3/h6-10,19H,5,11H2,1-4H3,(H,21,22)/b20-14+.
What are the key properties of N-[(E)-1-(2,4-dimethyl-1H-pyrrol-3-yl)ethylideneamino]-2-(4-ethylphenoxy)acetamide?
N-[(E)-1-(2,4-dimethyl-1H-pyrrol-3-yl)ethylideneamino]-2-(4-ethylphenoxy)acetamide has a molecular weight of 313.40 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(2,4-dimethyl-1H-pyrrol-3-yl)ethylideneamino]-2-(4-ethylphenoxy)acetamide is sourced from PubChem (CID 135722958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).