1-(N'-ethylcarbamimidoyl)-3-propylurea

C7H16N4O — CID 164628516

IUPAC1-(N'-ethylcarbamimidoyl)-3-propylurea
SMILESCCCNC(=O)N/C(N)=N/CC
InChIInChI=1S/C7H16N4O/c1-3-5-10-7(12)11-6(8)9-4-2/h3-5H2,1-2H3,(H4,8,9,10,11,12)
InChIKeyVGZVSWZMWFCBKN-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.03
Rot. Bonds3

About 1-(N'-ethylcarbamimidoyl)-3-propylurea

1-(N'-ethylcarbamimidoyl)-3-propylurea (PubChem CID 164628516) has the molecular formula C7H16N4O and a molecular weight of 172.23 g/mol. Its IUPAC name is 1-(N'-ethylcarbamimidoyl)-3-propylurea.

Molecular Properties

Compound Name1-(N'-ethylcarbamimidoyl)-3-propylurea
PubChem CID164628516
Molecular FormulaC7H16N4O
Molecular Weight172.23 g/mol
Exact Mass172.13
IUPAC Name1-(N'-ethylcarbamimidoyl)-3-propylurea
SMILESCCCNC(=O)N/C(N)=N/CC
InChIInChI=1S/C7H16N4O/c1-3-5-10-7(12)11-6(8)9-4-2/h3-5H2,1-2H3,(H4,8,9,10,11,12)
InChIKeyVGZVSWZMWFCBKN-UHFFFAOYSA-N
XLogP0.03
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(N'-ethylcarbamimidoyl)-3-propylurea?
The IUPAC name of 1-(N'-ethylcarbamimidoyl)-3-propylurea (CID 164628516) is 1-(N'-ethylcarbamimidoyl)-3-propylurea.
What is the SMILES notation for 1-(N'-ethylcarbamimidoyl)-3-propylurea?
The canonical SMILES for 1-(N'-ethylcarbamimidoyl)-3-propylurea is CCCNC(=O)N/C(N)=N/CC.
What is the InChIKey of 1-(N'-ethylcarbamimidoyl)-3-propylurea?
The InChIKey is VGZVSWZMWFCBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4O/c1-3-5-10-7(12)11-6(8)9-4-2/h3-5H2,1-2H3,(H4,8,9,10,11,12).
What are the key properties of 1-(N'-ethylcarbamimidoyl)-3-propylurea?
1-(N'-ethylcarbamimidoyl)-3-propylurea has a molecular weight of 172.23 g/mol, XLogP of 0.03, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N'-ethylcarbamimidoyl)-3-propylurea is sourced from PubChem (CID 164628516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).