N'-[(E)-(4-ethoxyphenyl)methylideneamino]-N-(2-methoxyethyl)propanediamide

C15H21N3O4 — CID 6164634

IUPACN'-[(E)-(4-ethoxyphenyl)methylideneamino]-N-(2-methoxyethyl)propanediamide
SMILESCCOc1ccc(/C=N/NC(=O)CC(=O)NCCOC)cc1
InChIInChI=1S/C15H21N3O4/c1-3-22-13-6-4-12(5-7-13)11-17-18-15(20)10-14(19)16-8-9-21-2/h4-7,11H,3,8-10H2,1-2H3,(H,16,19)(H,18,20)/b17-11+
InChIKeyLDFQQNDTKKOYCV-GZTJUZNOSA-N
MW307.35 g/mol
LogP0.69
Rot. Bonds9

About N'-[(E)-(4-ethoxyphenyl)methylideneamino]-N-(2-methoxyethyl)propanediamide

N'-[(E)-(4-ethoxyphenyl)methylideneamino]-N-(2-methoxyethyl)propanediamide (PubChem CID 6164634) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is N'-[(E)-(4-ethoxyphenyl)methylideneamino]-N-(2-methoxyethyl)propanediamide.

Molecular Properties

Compound NameN'-[(E)-(4-ethoxyphenyl)methylideneamino]-N-(2-methoxyethyl)propanediamide
PubChem CID6164634
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC NameN'-[(E)-(4-ethoxyphenyl)methylideneamino]-N-(2-methoxyethyl)propanediamide
SMILESCCOc1ccc(/C=N/NC(=O)CC(=O)NCCOC)cc1
InChIInChI=1S/C15H21N3O4/c1-3-22-13-6-4-12(5-7-13)11-17-18-15(20)10-14(19)16-8-9-21-2/h4-7,11H,3,8-10H2,1-2H3,(H,16,19)(H,18,20)/b17-11+
InChIKeyLDFQQNDTKKOYCV-GZTJUZNOSA-N
XLogP0.69
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', '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

N'-[(4-chlorophenyl)methylideneamino]-N-(2-methoxyethyl)propanediamide
CID 4174903
methyl 4-[[[3-(2-methoxyethylamino)-3-oxopropanoyl]hydrazinylidene]methyl]benzoate
CID 3105043
1-[(4-ethoxyphenyl)methylideneamino]-3-(2-methoxyethyl)thiourea
CID 3924940
N-(2-methoxyethyl)-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide
CID 8988888
N'-[[4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methoxyethyl)propanediamide
CID 3131650
2-ethoxy-N-[(E)-(4-ethoxyphenyl)methylideneamino]acetamide
CID 17141081
1-N,4-N-bis[(4-ethoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 4674929
methane;methyl N-[(E)-(4-ethoxyphenyl)methylideneamino]carbamate
CID 18532072
N-(3-methoxypropyl)-N'-[(Z)-(4-methylsulfanylphenyl)methylideneamino]propanediamide
CID 6369097
N-[(E)-(4-methoxyphenyl)methylideneamino]-N'-[(Z)-(4-methoxyphenyl)methylideneamino]propanediamide
CID 44726282
4-butoxy-N-[2-[(2Z)-2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 6006672
N'-(4-ethoxyphenyl)-N-(3-methoxypropyl)propanediamide
CID 108943357

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(4-ethoxyphenyl)methylideneamino]-N-(2-methoxyethyl)propanediamide?
The IUPAC name of N'-[(E)-(4-ethoxyphenyl)methylideneamino]-N-(2-methoxyethyl)propanediamide (CID 6164634) is N'-[(E)-(4-ethoxyphenyl)methylideneamino]-N-(2-methoxyethyl)propanediamide.
What is the SMILES notation for N'-[(E)-(4-ethoxyphenyl)methylideneamino]-N-(2-methoxyethyl)propanediamide?
The canonical SMILES for N'-[(E)-(4-ethoxyphenyl)methylideneamino]-N-(2-methoxyethyl)propanediamide is CCOc1ccc(/C=N/NC(=O)CC(=O)NCCOC)cc1.
What is the InChIKey of N'-[(E)-(4-ethoxyphenyl)methylideneamino]-N-(2-methoxyethyl)propanediamide?
The InChIKey is LDFQQNDTKKOYCV-GZTJUZNOSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-3-22-13-6-4-12(5-7-13)11-17-18-15(20)10-14(19)16-8-9-21-2/h4-7,11H,3,8-10H2,1-2H3,(H,16,19)(H,18,20)/b17-11+.
What are the key properties of N'-[(E)-(4-ethoxyphenyl)methylideneamino]-N-(2-methoxyethyl)propanediamide?
N'-[(E)-(4-ethoxyphenyl)methylideneamino]-N-(2-methoxyethyl)propanediamide has a molecular weight of 307.35 g/mol, XLogP of 0.69, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(4-ethoxyphenyl)methylideneamino]-N-(2-methoxyethyl)propanediamide is sourced from PubChem (CID 6164634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).