2-[1-(2-propan-2-yloxyphenyl)propylcarbamoylamino]propanediamide

C16H24N4O4 — CID 56795656

IUPAC2-[1-(2-propan-2-yloxyphenyl)propylcarbamoylamino]propanediamide
SMILESCCC(NC(=O)NC(C(N)=O)C(N)=O)c1ccccc1OC(C)C
InChIInChI=1S/C16H24N4O4/c1-4-11(10-7-5-6-8-12(10)24-9(2)3)19-16(23)20-13(14(17)21)15(18)22/h5-9,11,13H,4H2,1-3H3,(H2,17,21)(H2,18,22)(H2,19,20,23)
InChIKeyWARLOOCASLDADB-UHFFFAOYSA-N
MW336.39 g/mol
LogP0.56
Rot. Bonds8

About 2-[1-(2-propan-2-yloxyphenyl)propylcarbamoylamino]propanediamide

2-[1-(2-propan-2-yloxyphenyl)propylcarbamoylamino]propanediamide (PubChem CID 56795656) has the molecular formula C16H24N4O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-[1-(2-propan-2-yloxyphenyl)propylcarbamoylamino]propanediamide.

Molecular Properties

Compound Name2-[1-(2-propan-2-yloxyphenyl)propylcarbamoylamino]propanediamide
PubChem CID56795656
Molecular FormulaC16H24N4O4
Molecular Weight336.39 g/mol
Exact Mass336.18
IUPAC Name2-[1-(2-propan-2-yloxyphenyl)propylcarbamoylamino]propanediamide
SMILESCCC(NC(=O)NC(C(N)=O)C(N)=O)c1ccccc1OC(C)C
InChIInChI=1S/C16H24N4O4/c1-4-11(10-7-5-6-8-12(10)24-9(2)3)19-16(23)20-13(14(17)21)15(18)22/h5-9,11,13H,4H2,1-3H3,(H2,17,21)(H2,18,22)(H2,19,20,23)
InChIKeyWARLOOCASLDADB-UHFFFAOYSA-N
XLogP0.56
TPSA136.54 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 50.56
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-(2-butan-2-ylphenoxy)acetyl]amino]propanediamide
CID 56807746
2-[2-[1-(ethylamino)propyl]phenoxy]butanamide
CID 62900584
(2R)-N-[(1R)-1-(2-propan-2-yloxyphenyl)propyl]oxolane-2-carboxamide
CID 51947949
methyl 2-[1-(2-propan-2-yloxyphenyl)ethylamino]butanoate
CID 115282442
2-bromo-N-[1-(2-methoxyphenyl)propyl]butanamide
CID 62855577
1-(2-bromophenyl)-3-[1-[2-(difluoromethoxy)phenyl]propyl]urea
CID 55696855
[2-phenyl-1-(2-propan-2-yloxyphenyl)ethyl]hydrazine
CID 105195296
2-methoxy-N-[1-(2-propan-2-yloxyphenyl)ethyl]propanamide
CID 47308123
4-[4-[1-[2-(difluoromethoxy)phenyl]propylcarbamoyl]phenoxy]benzamide
CID 56545716
2-[2-[1-(methylamino)ethyl]phenoxy]butanamide
CID 55131608
2-chloro-N-[1-(2-propan-2-yloxyphenyl)ethyl]acetamide
CID 43701714
2-[2-[1-(ethylamino)propyl]phenoxy]-N-propylpropanamide
CID 43279107

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-propan-2-yloxyphenyl)propylcarbamoylamino]propanediamide?
The IUPAC name of 2-[1-(2-propan-2-yloxyphenyl)propylcarbamoylamino]propanediamide (CID 56795656) is 2-[1-(2-propan-2-yloxyphenyl)propylcarbamoylamino]propanediamide.
What is the SMILES notation for 2-[1-(2-propan-2-yloxyphenyl)propylcarbamoylamino]propanediamide?
The canonical SMILES for 2-[1-(2-propan-2-yloxyphenyl)propylcarbamoylamino]propanediamide is CCC(NC(=O)NC(C(N)=O)C(N)=O)c1ccccc1OC(C)C.
What is the InChIKey of 2-[1-(2-propan-2-yloxyphenyl)propylcarbamoylamino]propanediamide?
The InChIKey is WARLOOCASLDADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O4/c1-4-11(10-7-5-6-8-12(10)24-9(2)3)19-16(23)20-13(14(17)21)15(18)22/h5-9,11,13H,4H2,1-3H3,(H2,17,21)(H2,18,22)(H2,19,20,23).
What are the key properties of 2-[1-(2-propan-2-yloxyphenyl)propylcarbamoylamino]propanediamide?
2-[1-(2-propan-2-yloxyphenyl)propylcarbamoylamino]propanediamide has a molecular weight of 336.39 g/mol, XLogP of 0.56, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-propan-2-yloxyphenyl)propylcarbamoylamino]propanediamide is sourced from PubChem (CID 56795656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).