2-[[2-(4-propoxyphenoxy)acetyl]amino]propanediamide

C14H19N3O5 — CID 56807568

IUPAC2-[[2-(4-propoxyphenoxy)acetyl]amino]propanediamide
SMILESCCCOc1ccc(OCC(=O)NC(C(N)=O)C(N)=O)cc1
InChIInChI=1S/C14H19N3O5/c1-2-7-21-9-3-5-10(6-4-9)22-8-11(18)17-12(13(15)19)14(16)20/h3-6,12H,2,7-8H2,1H3,(H2,15,19)(H2,16,20)(H,17,18)
InChIKeyHMCVYTDKUPKRHE-UHFFFAOYSA-N
MW309.32 g/mol
LogP-0.69
Rot. Bonds9

About 2-[[2-(4-propoxyphenoxy)acetyl]amino]propanediamide

2-[[2-(4-propoxyphenoxy)acetyl]amino]propanediamide (PubChem CID 56807568) has the molecular formula C14H19N3O5 and a molecular weight of 309.32 g/mol. Its IUPAC name is 2-[[2-(4-propoxyphenoxy)acetyl]amino]propanediamide.

Molecular Properties

Compound Name2-[[2-(4-propoxyphenoxy)acetyl]amino]propanediamide
PubChem CID56807568
Molecular FormulaC14H19N3O5
Molecular Weight309.32 g/mol
Exact Mass309.13
IUPAC Name2-[[2-(4-propoxyphenoxy)acetyl]amino]propanediamide
SMILESCCCOc1ccc(OCC(=O)NC(C(N)=O)C(N)=O)cc1
InChIInChI=1S/C14H19N3O5/c1-2-7-21-9-3-5-10(6-4-9)22-8-11(18)17-12(13(15)19)14(16)20/h3-6,12H,2,7-8H2,1H3,(H2,15,19)(H2,16,20)(H,17,18)
InChIKeyHMCVYTDKUPKRHE-UHFFFAOYSA-N
XLogP-0.69
TPSA133.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[[2-(4-propoxyphenoxy)acetyl]amino]propanoic acid
CID 119244504
2-[(4-propoxyphenyl)methylcarbamoylamino]propanediamide
CID 56796089
(2S)-2-phenyl-2-[[2-(4-propoxyphenoxy)acetyl]amino]acetic acid
CID 119372492
N-ethyl-2-[[2-(4-propoxyphenoxy)acetyl]amino]acetamide
CID 86907761
2-(4-butoxyphenoxy)acetamide
CID 22974475
2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]propanediamide
CID 47155227
N-butyl-2-(4-propoxyphenoxy)acetamide
CID 112775304
2-(ethylamino)-4-(4-propoxyphenoxy)butanamide
CID 63033885
N-(4-methoxyphenyl)-2-(4-propoxyphenoxy)acetamide
CID 4732668
2-(4-methylphenoxy)-N-(4-propoxyphenyl)acetamide
CID 4943007
1-[[2-(4-propoxyphenoxy)acetyl]amino]cyclohexane-1-carboxamide
CID 78881239
2-methyl-N-[4-[[2-(4-propoxyphenoxy)acetyl]amino]phenyl]propanamide
CID 26907045

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-propoxyphenoxy)acetyl]amino]propanediamide?
The IUPAC name of 2-[[2-(4-propoxyphenoxy)acetyl]amino]propanediamide (CID 56807568) is 2-[[2-(4-propoxyphenoxy)acetyl]amino]propanediamide.
What is the SMILES notation for 2-[[2-(4-propoxyphenoxy)acetyl]amino]propanediamide?
The canonical SMILES for 2-[[2-(4-propoxyphenoxy)acetyl]amino]propanediamide is CCCOc1ccc(OCC(=O)NC(C(N)=O)C(N)=O)cc1.
What is the InChIKey of 2-[[2-(4-propoxyphenoxy)acetyl]amino]propanediamide?
The InChIKey is HMCVYTDKUPKRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O5/c1-2-7-21-9-3-5-10(6-4-9)22-8-11(18)17-12(13(15)19)14(16)20/h3-6,12H,2,7-8H2,1H3,(H2,15,19)(H2,16,20)(H,17,18).
What are the key properties of 2-[[2-(4-propoxyphenoxy)acetyl]amino]propanediamide?
2-[[2-(4-propoxyphenoxy)acetyl]amino]propanediamide has a molecular weight of 309.32 g/mol, XLogP of -0.69, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-propoxyphenoxy)acetyl]amino]propanediamide is sourced from PubChem (CID 56807568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).