2-[cyanomethyl(propyl)amino]-N-(cyclopropylcarbamoyl)acetamide

C11H18N4O2 — CID 74766417

IUPAC2-[cyanomethyl(propyl)amino]-N-(cyclopropylcarbamoyl)acetamide
SMILESCCCN(CC#N)CC(=O)NC(=O)NC1CC1
InChIInChI=1S/C11H18N4O2/c1-2-6-15(7-5-12)8-10(16)14-11(17)13-9-3-4-9/h9H,2-4,6-8H2,1H3,(H2,13,14,16,17)
InChIKeyIABFCQUCQWHLJD-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.21
Rot. Bonds6

About 2-[cyanomethyl(propyl)amino]-N-(cyclopropylcarbamoyl)acetamide

2-[cyanomethyl(propyl)amino]-N-(cyclopropylcarbamoyl)acetamide (PubChem CID 74766417) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[cyanomethyl(propyl)amino]-N-(cyclopropylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[cyanomethyl(propyl)amino]-N-(cyclopropylcarbamoyl)acetamide
PubChem CID74766417
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name2-[cyanomethyl(propyl)amino]-N-(cyclopropylcarbamoyl)acetamide
SMILESCCCN(CC#N)CC(=O)NC(=O)NC1CC1
InChIInChI=1S/C11H18N4O2/c1-2-6-15(7-5-12)8-10(16)14-11(17)13-9-3-4-9/h9H,2-4,6-8H2,1H3,(H2,13,14,16,17)
InChIKeyIABFCQUCQWHLJD-UHFFFAOYSA-N
XLogP0.21
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[cyanomethyl(propyl)amino]-N-(cyclopropylcarbamoyl)acetamide?
The IUPAC name of 2-[cyanomethyl(propyl)amino]-N-(cyclopropylcarbamoyl)acetamide (CID 74766417) is 2-[cyanomethyl(propyl)amino]-N-(cyclopropylcarbamoyl)acetamide.
What is the SMILES notation for 2-[cyanomethyl(propyl)amino]-N-(cyclopropylcarbamoyl)acetamide?
The canonical SMILES for 2-[cyanomethyl(propyl)amino]-N-(cyclopropylcarbamoyl)acetamide is CCCN(CC#N)CC(=O)NC(=O)NC1CC1.
What is the InChIKey of 2-[cyanomethyl(propyl)amino]-N-(cyclopropylcarbamoyl)acetamide?
The InChIKey is IABFCQUCQWHLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-2-6-15(7-5-12)8-10(16)14-11(17)13-9-3-4-9/h9H,2-4,6-8H2,1H3,(H2,13,14,16,17).
What are the key properties of 2-[cyanomethyl(propyl)amino]-N-(cyclopropylcarbamoyl)acetamide?
2-[cyanomethyl(propyl)amino]-N-(cyclopropylcarbamoyl)acetamide has a molecular weight of 238.29 g/mol, XLogP of 0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyanomethyl(propyl)amino]-N-(cyclopropylcarbamoyl)acetamide is sourced from PubChem (CID 74766417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).