2-[2-cyanopropyl(methyl)amino]-N-(3-methoxypropyl)acetamide

C11H21N3O2 — CID 60715077

IUPAC2-[2-cyanopropyl(methyl)amino]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN(C)CC(C)C#N
InChIInChI=1S/C11H21N3O2/c1-10(7-12)8-14(2)9-11(15)13-5-4-6-16-3/h10H,4-6,8-9H2,1-3H3,(H,13,15)
InChIKeyLEPIYABXAIZRMZ-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.23
Rot. Bonds8

About 2-[2-cyanopropyl(methyl)amino]-N-(3-methoxypropyl)acetamide

2-[2-cyanopropyl(methyl)amino]-N-(3-methoxypropyl)acetamide (PubChem CID 60715077) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-[2-cyanopropyl(methyl)amino]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[2-cyanopropyl(methyl)amino]-N-(3-methoxypropyl)acetamide
PubChem CID60715077
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name2-[2-cyanopropyl(methyl)amino]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN(C)CC(C)C#N
InChIInChI=1S/C11H21N3O2/c1-10(7-12)8-14(2)9-11(15)13-5-4-6-16-3/h10H,4-6,8-9H2,1-3H3,(H,13,15)
InChIKeyLEPIYABXAIZRMZ-UHFFFAOYSA-N
XLogP0.23
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.23
H-Bond Donors ≤ 51
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-[2-cyanopropyl(methyl)amino]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[2-cyanopropyl(methyl)amino]-N-(3-methoxypropyl)acetamide (CID 60715077) is 2-[2-cyanopropyl(methyl)amino]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[2-cyanopropyl(methyl)amino]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[2-cyanopropyl(methyl)amino]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CN(C)CC(C)C#N.
What is the InChIKey of 2-[2-cyanopropyl(methyl)amino]-N-(3-methoxypropyl)acetamide?
The InChIKey is LEPIYABXAIZRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-10(7-12)8-14(2)9-11(15)13-5-4-6-16-3/h10H,4-6,8-9H2,1-3H3,(H,13,15).
What are the key properties of 2-[2-cyanopropyl(methyl)amino]-N-(3-methoxypropyl)acetamide?
2-[2-cyanopropyl(methyl)amino]-N-(3-methoxypropyl)acetamide has a molecular weight of 227.31 g/mol, XLogP of 0.23, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyanopropyl(methyl)amino]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 60715077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).