N-(2-ethoxyphenyl)-N'-ethyl-N'-(oxan-4-ylmethyl)propanediamide

C19H28N2O4 — CID 50950521

IUPACN-(2-ethoxyphenyl)-N'-ethyl-N'-(oxan-4-ylmethyl)propanediamide
SMILESCCOc1ccccc1NC(=O)CC(=O)N(CC)CC1CCOCC1
InChIInChI=1S/C19H28N2O4/c1-3-21(14-15-9-11-24-12-10-15)19(23)13-18(22)20-16-7-5-6-8-17(16)25-4-2/h5-8,15H,3-4,9-14H2,1-2H3,(H,20,22)
InChIKeyJMBYREZIJRIKHK-UHFFFAOYSA-N
MW348.44 g/mol
LogP2.69
Rot. Bonds8

About N-(2-ethoxyphenyl)-N'-ethyl-N'-(oxan-4-ylmethyl)propanediamide

N-(2-ethoxyphenyl)-N'-ethyl-N'-(oxan-4-ylmethyl)propanediamide (PubChem CID 50950521) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-N'-ethyl-N'-(oxan-4-ylmethyl)propanediamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-N'-ethyl-N'-(oxan-4-ylmethyl)propanediamide
PubChem CID50950521
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC NameN-(2-ethoxyphenyl)-N'-ethyl-N'-(oxan-4-ylmethyl)propanediamide
SMILESCCOc1ccccc1NC(=O)CC(=O)N(CC)CC1CCOCC1
InChIInChI=1S/C19H28N2O4/c1-3-21(14-15-9-11-24-12-10-15)19(23)13-18(22)20-16-7-5-6-8-17(16)25-4-2/h5-8,15H,3-4,9-14H2,1-2H3,(H,20,22)
InChIKeyJMBYREZIJRIKHK-UHFFFAOYSA-N
XLogP2.69
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethoxyphenyl)-3-(oxan-4-ylmethyl)urea
CID 108912943
2-[bis[[(2S)-oxolan-2-yl]methyl]amino]-N-(2-ethoxyphenyl)acetamide
CID 51952595
2-[acetyl(cyclopropyl)amino]-N-(2-ethoxyphenyl)acetamide
CID 113158429
methyl 3-(2-ethoxyanilino)-3-oxopropanoate
CID 28637956
1-(2-ethoxyphenyl)-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]urea
CID 90622357
N'-(2-ethoxyphenyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide
CID 121109673
N-[2-(cyclopropylmethoxy)phenyl]-2-(dimethylamino)acetamide
CID 91661447
N'-(2-ethoxyphenyl)-N-(2-methylphenyl)propanediamide
CID 108952937
3-[acetyl(cyclopropyl)amino]-N-(2-ethoxyphenyl)propanamide
CID 113115445
CID 174193763
CID 174193763
3-(2-methoxyphenyl)-1-(oxolan-3-ylmethyl)-1-propylurea
CID 91905721
2-amino-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120787699

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-N'-ethyl-N'-(oxan-4-ylmethyl)propanediamide?
The IUPAC name of N-(2-ethoxyphenyl)-N'-ethyl-N'-(oxan-4-ylmethyl)propanediamide (CID 50950521) is N-(2-ethoxyphenyl)-N'-ethyl-N'-(oxan-4-ylmethyl)propanediamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-N'-ethyl-N'-(oxan-4-ylmethyl)propanediamide?
The canonical SMILES for N-(2-ethoxyphenyl)-N'-ethyl-N'-(oxan-4-ylmethyl)propanediamide is CCOc1ccccc1NC(=O)CC(=O)N(CC)CC1CCOCC1.
What is the InChIKey of N-(2-ethoxyphenyl)-N'-ethyl-N'-(oxan-4-ylmethyl)propanediamide?
The InChIKey is JMBYREZIJRIKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-3-21(14-15-9-11-24-12-10-15)19(23)13-18(22)20-16-7-5-6-8-17(16)25-4-2/h5-8,15H,3-4,9-14H2,1-2H3,(H,20,22).
What are the key properties of N-(2-ethoxyphenyl)-N'-ethyl-N'-(oxan-4-ylmethyl)propanediamide?
N-(2-ethoxyphenyl)-N'-ethyl-N'-(oxan-4-ylmethyl)propanediamide has a molecular weight of 348.44 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-N'-ethyl-N'-(oxan-4-ylmethyl)propanediamide is sourced from PubChem (CID 50950521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).