N'-[(dipropylamino)carbamoyl]propanediamide

C10H20N4O3 — CID 102249175

IUPACN'-[(dipropylamino)carbamoyl]propanediamide
SMILESCCCN(CCC)NC(=O)NC(=O)CC(N)=O
InChIInChI=1S/C10H20N4O3/c1-3-5-14(6-4-2)13-10(17)12-9(16)7-8(11)15/h3-7H2,1-2H3,(H2,11,15)(H2,12,13,16,17)
InChIKeyYUWZGINXGBTSAC-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.28
Rot. Bonds7

About N'-[(dipropylamino)carbamoyl]propanediamide

N'-[(dipropylamino)carbamoyl]propanediamide (PubChem CID 102249175) has the molecular formula C10H20N4O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is N'-[(dipropylamino)carbamoyl]propanediamide.

Molecular Properties

Compound NameN'-[(dipropylamino)carbamoyl]propanediamide
PubChem CID102249175
Molecular FormulaC10H20N4O3
Molecular Weight244.29 g/mol
Exact Mass244.15
IUPAC NameN'-[(dipropylamino)carbamoyl]propanediamide
SMILESCCCN(CCC)NC(=O)NC(=O)CC(N)=O
InChIInChI=1S/C10H20N4O3/c1-3-5-14(6-4-2)13-10(17)12-9(16)7-8(11)15/h3-7H2,1-2H3,(H2,11,15)(H2,12,13,16,17)
InChIKeyYUWZGINXGBTSAC-UHFFFAOYSA-N
XLogP-0.28
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(dipropylamino)carbamoyl]propanediamide?
The IUPAC name of N'-[(dipropylamino)carbamoyl]propanediamide (CID 102249175) is N'-[(dipropylamino)carbamoyl]propanediamide.
What is the SMILES notation for N'-[(dipropylamino)carbamoyl]propanediamide?
The canonical SMILES for N'-[(dipropylamino)carbamoyl]propanediamide is CCCN(CCC)NC(=O)NC(=O)CC(N)=O.
What is the InChIKey of N'-[(dipropylamino)carbamoyl]propanediamide?
The InChIKey is YUWZGINXGBTSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O3/c1-3-5-14(6-4-2)13-10(17)12-9(16)7-8(11)15/h3-7H2,1-2H3,(H2,11,15)(H2,12,13,16,17).
What are the key properties of N'-[(dipropylamino)carbamoyl]propanediamide?
N'-[(dipropylamino)carbamoyl]propanediamide has a molecular weight of 244.29 g/mol, XLogP of -0.28, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(dipropylamino)carbamoyl]propanediamide is sourced from PubChem (CID 102249175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).