2-[(4-propoxyphenyl)methylcarbamoylamino]propanediamide

C14H20N4O4 — CID 56796089

IUPAC2-[(4-propoxyphenyl)methylcarbamoylamino]propanediamide
SMILESCCCOc1ccc(CNC(=O)NC(C(N)=O)C(N)=O)cc1
InChIInChI=1S/C14H20N4O4/c1-2-7-22-10-5-3-9(4-6-10)8-17-14(21)18-11(12(15)19)13(16)20/h3-6,11H,2,7-8H2,1H3,(H2,15,19)(H2,16,20)(H2,17,18,21)
InChIKeyRPOTZTSLFIDJBB-UHFFFAOYSA-N
MW308.34 g/mol
LogP-0.39
Rot. Bonds8

About 2-[(4-propoxyphenyl)methylcarbamoylamino]propanediamide

2-[(4-propoxyphenyl)methylcarbamoylamino]propanediamide (PubChem CID 56796089) has the molecular formula C14H20N4O4 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-[(4-propoxyphenyl)methylcarbamoylamino]propanediamide.

Molecular Properties

Compound Name2-[(4-propoxyphenyl)methylcarbamoylamino]propanediamide
PubChem CID56796089
Molecular FormulaC14H20N4O4
Molecular Weight308.34 g/mol
Exact Mass308.15
IUPAC Name2-[(4-propoxyphenyl)methylcarbamoylamino]propanediamide
SMILESCCCOc1ccc(CNC(=O)NC(C(N)=O)C(N)=O)cc1
InChIInChI=1S/C14H20N4O4/c1-2-7-22-10-5-3-9(4-6-10)8-17-14(21)18-11(12(15)19)13(16)20/h3-6,11H,2,7-8H2,1H3,(H2,15,19)(H2,16,20)(H2,17,18,21)
InChIKeyRPOTZTSLFIDJBB-UHFFFAOYSA-N
XLogP-0.39
TPSA136.54 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 5-0.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(4-propoxyphenoxy)acetyl]amino]propanediamide
CID 56807568
2-chloro-N-[(4-propoxyphenyl)methyl]propanamide
CID 82109238
1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-[(4-propoxyphenyl)methyl]urea
CID 51084332
2-amino-3-methyl-N-[(4-propoxyphenyl)methyl]pentanamide;hydrochloride
CID 119714373
1-(4-fluorophenyl)-3-[(4-propoxyphenyl)methyl]urea
CID 51046163
2-methyl-3-(methylamino)-N-[(4-propoxyphenyl)methyl]propanamide
CID 119714366
2-methyl-2-[(4-propoxyphenyl)methylamino]propanamide
CID 61221118
(4-propoxyphenyl)methylhydrazine
CID 53401453
1-[(4-butoxyphenyl)methyl]-3-[(4-propoxyphenyl)methyl]thiourea
CID 3095517
(2R)-2-[(4-pentoxyphenyl)methylamino]propanamide
CID 93037212
3-amino-2-methyl-3-phenyl-N-[(4-propoxyphenyl)methyl]propanamide
CID 119714355
4-[[[2-(4-propoxyphenoxy)acetyl]amino]methyl]benzoic acid
CID 45426481

Frequently Asked Questions

What is the IUPAC name of 2-[(4-propoxyphenyl)methylcarbamoylamino]propanediamide?
The IUPAC name of 2-[(4-propoxyphenyl)methylcarbamoylamino]propanediamide (CID 56796089) is 2-[(4-propoxyphenyl)methylcarbamoylamino]propanediamide.
What is the SMILES notation for 2-[(4-propoxyphenyl)methylcarbamoylamino]propanediamide?
The canonical SMILES for 2-[(4-propoxyphenyl)methylcarbamoylamino]propanediamide is CCCOc1ccc(CNC(=O)NC(C(N)=O)C(N)=O)cc1.
What is the InChIKey of 2-[(4-propoxyphenyl)methylcarbamoylamino]propanediamide?
The InChIKey is RPOTZTSLFIDJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O4/c1-2-7-22-10-5-3-9(4-6-10)8-17-14(21)18-11(12(15)19)13(16)20/h3-6,11H,2,7-8H2,1H3,(H2,15,19)(H2,16,20)(H2,17,18,21).
What are the key properties of 2-[(4-propoxyphenyl)methylcarbamoylamino]propanediamide?
2-[(4-propoxyphenyl)methylcarbamoylamino]propanediamide has a molecular weight of 308.34 g/mol, XLogP of -0.39, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-propoxyphenyl)methylcarbamoylamino]propanediamide is sourced from PubChem (CID 56796089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).