N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide

C21H24N2O4 — CID 6871426

IUPACN-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
SMILESCc1ccc(C(C)C)cc1OCC(=O)N/N=C/c1ccc2c(c1)OCCO2
InChIInChI=1S/C21H24N2O4/c1-14(2)17-6-4-15(3)19(11-17)27-13-21(24)23-22-12-16-5-7-18-20(10-16)26-9-8-25-18/h4-7,10-12,14H,8-9,13H2,1-3H3,(H,23,24)/b22-12+
InChIKeyYHNRWYMFUPQKJZ-WSDLNYQXSA-N
MW368.43 g/mol
LogP3.42
Rot. Bonds6

About N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide

N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide (PubChem CID 6871426) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
PubChem CID6871426
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC NameN-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
SMILESCc1ccc(C(C)C)cc1OCC(=O)N/N=C/c1ccc2c(c1)OCCO2
InChIInChI=1S/C21H24N2O4/c1-14(2)17-6-4-15(3)19(11-17)27-13-21(24)23-22-12-16-5-7-18-20(10-16)26-9-8-25-18/h4-7,10-12,14H,8-9,13H2,1-3H3,(H,23,24)/b22-12+
InChIKeyYHNRWYMFUPQKJZ-WSDLNYQXSA-N
XLogP3.42
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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)-1,3-benzodioxol-5-ylmethylideneamino]-2-(2,5-dimethylphenoxy)acetamide
CID 6898858
N-[(4-butoxyphenyl)methylideneamino]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 4180161
N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 3689638
N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-(3-methylphenoxy)acetamide
CID 6910954
2-(1,3-benzodioxol-5-yloxy)-N-[(4-propan-2-ylphenyl)methylideneamino]acetamide
CID 165341655
N-[(E)-(2-methoxyphenyl)methylideneamino]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 51061337
N-[(E)-(3-bromo-4,5-dihydroxyphenyl)methylideneamino]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 135688423
2-(2-methyl-5-propan-2-ylphenoxy)-N-[(2-propoxyphenyl)methylideneamino]acetamide
CID 4149851
N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 6009481
[2-ethoxy-4-[[[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-ethoxybenzoate
CID 3621651
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 135607666
2-(2-methyl-5-propan-2-ylphenoxy)-N-[(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4076296

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide (CID 6871426) is N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide is Cc1ccc(C(C)C)cc1OCC(=O)N/N=C/c1ccc2c(c1)OCCO2.
What is the InChIKey of N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide?
The InChIKey is YHNRWYMFUPQKJZ-WSDLNYQXSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-14(2)17-6-4-15(3)19(11-17)27-13-21(24)23-22-12-16-5-7-18-20(10-16)26-9-8-25-18/h4-7,10-12,14H,8-9,13H2,1-3H3,(H,23,24)/b22-12+.
What are the key properties of N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide?
N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide has a molecular weight of 368.43 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 6871426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).