2-[cyclopropyl(2-methylpropyl)amino]-N-(2-methoxyethylcarbamoyl)acetamide

C13H25N3O3 — CID 34411603

IUPAC2-[cyclopropyl(2-methylpropyl)amino]-N-(2-methoxyethylcarbamoyl)acetamide
SMILESCOCCNC(=O)NC(=O)CN(CC(C)C)C1CC1
InChIInChI=1S/C13H25N3O3/c1-10(2)8-16(11-4-5-11)9-12(17)15-13(18)14-6-7-19-3/h10-11H,4-9H2,1-3H3,(H2,14,15,17,18)
InChIKeyBOPKNTUBNQPZOD-UHFFFAOYSA-N
MW271.36 g/mol
LogP0.58
Rot. Bonds8

About 2-[cyclopropyl(2-methylpropyl)amino]-N-(2-methoxyethylcarbamoyl)acetamide

2-[cyclopropyl(2-methylpropyl)amino]-N-(2-methoxyethylcarbamoyl)acetamide (PubChem CID 34411603) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[cyclopropyl(2-methylpropyl)amino]-N-(2-methoxyethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[cyclopropyl(2-methylpropyl)amino]-N-(2-methoxyethylcarbamoyl)acetamide
PubChem CID34411603
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name2-[cyclopropyl(2-methylpropyl)amino]-N-(2-methoxyethylcarbamoyl)acetamide
SMILESCOCCNC(=O)NC(=O)CN(CC(C)C)C1CC1
InChIInChI=1S/C13H25N3O3/c1-10(2)8-16(11-4-5-11)9-12(17)15-13(18)14-6-7-19-3/h10-11H,4-9H2,1-3H3,(H2,14,15,17,18)
InChIKeyBOPKNTUBNQPZOD-UHFFFAOYSA-N
XLogP0.58
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(2-methylpropyl)amino]-N-(2-methoxyethylcarbamoyl)acetamide?
The IUPAC name of 2-[cyclopropyl(2-methylpropyl)amino]-N-(2-methoxyethylcarbamoyl)acetamide (CID 34411603) is 2-[cyclopropyl(2-methylpropyl)amino]-N-(2-methoxyethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[cyclopropyl(2-methylpropyl)amino]-N-(2-methoxyethylcarbamoyl)acetamide?
The canonical SMILES for 2-[cyclopropyl(2-methylpropyl)amino]-N-(2-methoxyethylcarbamoyl)acetamide is COCCNC(=O)NC(=O)CN(CC(C)C)C1CC1.
What is the InChIKey of 2-[cyclopropyl(2-methylpropyl)amino]-N-(2-methoxyethylcarbamoyl)acetamide?
The InChIKey is BOPKNTUBNQPZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-10(2)8-16(11-4-5-11)9-12(17)15-13(18)14-6-7-19-3/h10-11H,4-9H2,1-3H3,(H2,14,15,17,18).
What are the key properties of 2-[cyclopropyl(2-methylpropyl)amino]-N-(2-methoxyethylcarbamoyl)acetamide?
2-[cyclopropyl(2-methylpropyl)amino]-N-(2-methoxyethylcarbamoyl)acetamide has a molecular weight of 271.36 g/mol, XLogP of 0.58, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(2-methylpropyl)amino]-N-(2-methoxyethylcarbamoyl)acetamide is sourced from PubChem (CID 34411603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).