2-ethanimidoyl-N-(4-ethoxyphenyl)-N'-(3-ethylphenyl)propanediamide

C21H25N3O3 — CID 176781455

IUPAC2-ethanimidoyl-N-(4-ethoxyphenyl)-N'-(3-ethylphenyl)propanediamide
SMILES[H]/N=C(\C)C(C(=O)Nc1ccc(OCC)cc1)C(=O)Nc1cccc(CC)c1
InChIInChI=1S/C21H25N3O3/c1-4-15-7-6-8-17(13-15)24-21(26)19(14(3)22)20(25)23-16-9-11-18(12-10-16)27-5-2/h6-13,19,22H,4-5H2,1-3H3,(H,23,25)(H,24,26)/b22-14+
InChIKeyJQWHOJSXTXBKSM-HYARGMPZSA-N
MW367.45 g/mol
LogP3.88
Rot. Bonds8

About 2-ethanimidoyl-N-(4-ethoxyphenyl)-N'-(3-ethylphenyl)propanediamide

2-ethanimidoyl-N-(4-ethoxyphenyl)-N'-(3-ethylphenyl)propanediamide (PubChem CID 176781455) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-ethanimidoyl-N-(4-ethoxyphenyl)-N'-(3-ethylphenyl)propanediamide.

Molecular Properties

Compound Name2-ethanimidoyl-N-(4-ethoxyphenyl)-N'-(3-ethylphenyl)propanediamide
PubChem CID176781455
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name2-ethanimidoyl-N-(4-ethoxyphenyl)-N'-(3-ethylphenyl)propanediamide
SMILES[H]/N=C(\C)C(C(=O)Nc1ccc(OCC)cc1)C(=O)Nc1cccc(CC)c1
InChIInChI=1S/C21H25N3O3/c1-4-15-7-6-8-17(13-15)24-21(26)19(14(3)22)20(25)23-16-9-11-18(12-10-16)27-5-2/h6-13,19,22H,4-5H2,1-3H3,(H,23,25)(H,24,26)/b22-14+
InChIKeyJQWHOJSXTXBKSM-HYARGMPZSA-N
XLogP3.88
TPSA91.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-(4-ethoxyphenyl)-2-(3-ethylphenoxy)propanamide
CID 25465522
2-(4-acetamidophenoxy)-N-(3-ethylphenyl)acetamide
CID 7203355
(4-acetamidophenyl) N-(3-ethylphenyl)carbamate
CID 3406901
[3-[(4-ethoxyphenyl)carbamoylamino]phenyl] acetate
CID 108865154
1-(3-ethoxyphenyl)-3-(4-ethylphenyl)urea
CID 11536518
N-(3-ethylphenyl)-2-[4-(methylamino)phenoxy]acetamide
CID 61028344
3-acetamido-N-(4-ethoxyphenyl)benzamide
CID 17396899
[1-(3-acetylanilino)-1-oxopropan-2-yl] 4-ethoxybenzoate
CID 6915084
N-(4-bromophenyl)-N'-[3-(1,1-difluoroethyl)phenyl]-2-ethanimidoylpropanediamide
CID 165163846
N-(4-ethoxyphenyl)-N'-(3-methylphenyl)oxamide
CID 44996305
2-amino-N-(3-ethoxyphenyl)-3-phenylpropanamide
CID 60927036
2-chloro-N-(3-ethylphenyl)butanamide
CID 20553592

Frequently Asked Questions

What is the IUPAC name of 2-ethanimidoyl-N-(4-ethoxyphenyl)-N'-(3-ethylphenyl)propanediamide?
The IUPAC name of 2-ethanimidoyl-N-(4-ethoxyphenyl)-N'-(3-ethylphenyl)propanediamide (CID 176781455) is 2-ethanimidoyl-N-(4-ethoxyphenyl)-N'-(3-ethylphenyl)propanediamide.
What is the SMILES notation for 2-ethanimidoyl-N-(4-ethoxyphenyl)-N'-(3-ethylphenyl)propanediamide?
The canonical SMILES for 2-ethanimidoyl-N-(4-ethoxyphenyl)-N'-(3-ethylphenyl)propanediamide is [H]/N=C(\C)C(C(=O)Nc1ccc(OCC)cc1)C(=O)Nc1cccc(CC)c1.
What is the InChIKey of 2-ethanimidoyl-N-(4-ethoxyphenyl)-N'-(3-ethylphenyl)propanediamide?
The InChIKey is JQWHOJSXTXBKSM-HYARGMPZSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-4-15-7-6-8-17(13-15)24-21(26)19(14(3)22)20(25)23-16-9-11-18(12-10-16)27-5-2/h6-13,19,22H,4-5H2,1-3H3,(H,23,25)(H,24,26)/b22-14+.
What are the key properties of 2-ethanimidoyl-N-(4-ethoxyphenyl)-N'-(3-ethylphenyl)propanediamide?
2-ethanimidoyl-N-(4-ethoxyphenyl)-N'-(3-ethylphenyl)propanediamide has a molecular weight of 367.45 g/mol, XLogP of 3.88, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethanimidoyl-N-(4-ethoxyphenyl)-N'-(3-ethylphenyl)propanediamide is sourced from PubChem (CID 176781455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).