2-(ethoxymethylidene)-N,N'-bis(4-methylphenyl)propanediamide

C20H22N2O3 — CID 7120921

IUPAC2-(ethoxymethylidene)-N,N'-bis(4-methylphenyl)propanediamide
SMILESCCOC=C(C(=O)Nc1ccc(C)cc1)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C20H22N2O3/c1-4-25-13-18(19(23)21-16-9-5-14(2)6-10-16)20(24)22-17-11-7-15(3)8-12-17/h5-13H,4H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyVEWVYGOADCJZSP-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.80
Rot. Bonds6

About 2-(ethoxymethylidene)-N,N'-bis(4-methylphenyl)propanediamide

2-(ethoxymethylidene)-N,N'-bis(4-methylphenyl)propanediamide (PubChem CID 7120921) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-(ethoxymethylidene)-N,N'-bis(4-methylphenyl)propanediamide.

Molecular Properties

Compound Name2-(ethoxymethylidene)-N,N'-bis(4-methylphenyl)propanediamide
PubChem CID7120921
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name2-(ethoxymethylidene)-N,N'-bis(4-methylphenyl)propanediamide
SMILESCCOC=C(C(=O)Nc1ccc(C)cc1)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C20H22N2O3/c1-4-25-13-18(19(23)21-16-9-5-14(2)6-10-16)20(24)22-17-11-7-15(3)8-12-17/h5-13H,4H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyVEWVYGOADCJZSP-UHFFFAOYSA-N
XLogP3.80
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

N'-(4-ethoxyphenyl)-N-(4-methylphenyl)oxamide
CID 44995934
2-[(4-methylphenoxy)methylidene]-N-(4-methylphenyl)butanamide
CID 59498383
(2E)-2-[(4-methylphenoxy)methylidene]-N-(4-methylphenyl)butanamide
CID 67545040
ethane;ethyl N-(4-methylphenyl)carbamate
CID 143199598
ethyl (E)-2-[(4-methylphenyl)carbamoyl]-3-(propoxycarbonylamino)prop-2-enoate
CID 10088244
N-(4-methylphenyl)pentanamide
CID 3662375
(2Z,4Z)-N,N'-bis(4-methylphenyl)-2,3,4,5-tetrapropylhexa-2,4-dienediamide
CID 101373282
2-[(2-chlorophenyl)methylidene]-N,N'-bis(4-methylphenyl)propanediamide
CID 7970977
butane;methyl N-(4-methylphenyl)carbamate
CID 155739087
diethyl 2-[(4-methylphenyl)carbamoyl]propanedioate
CID 135030041
N-(4-methylphenyl)acetamide
CID 7684
4-methyl-N-(4-methylphenyl)-2-oxopent-3-enamide
CID 53349566

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethylidene)-N,N'-bis(4-methylphenyl)propanediamide?
The IUPAC name of 2-(ethoxymethylidene)-N,N'-bis(4-methylphenyl)propanediamide (CID 7120921) is 2-(ethoxymethylidene)-N,N'-bis(4-methylphenyl)propanediamide.
What is the SMILES notation for 2-(ethoxymethylidene)-N,N'-bis(4-methylphenyl)propanediamide?
The canonical SMILES for 2-(ethoxymethylidene)-N,N'-bis(4-methylphenyl)propanediamide is CCOC=C(C(=O)Nc1ccc(C)cc1)C(=O)Nc1ccc(C)cc1.
What is the InChIKey of 2-(ethoxymethylidene)-N,N'-bis(4-methylphenyl)propanediamide?
The InChIKey is VEWVYGOADCJZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-4-25-13-18(19(23)21-16-9-5-14(2)6-10-16)20(24)22-17-11-7-15(3)8-12-17/h5-13H,4H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 2-(ethoxymethylidene)-N,N'-bis(4-methylphenyl)propanediamide?
2-(ethoxymethylidene)-N,N'-bis(4-methylphenyl)propanediamide has a molecular weight of 338.41 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethylidene)-N,N'-bis(4-methylphenyl)propanediamide is sourced from PubChem (CID 7120921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).