N-(cyclopropylmethyl)-2-methoxy-N-prop-2-ynylacetamide

C10H15NO2 — CID 115532424

IUPACN-(cyclopropylmethyl)-2-methoxy-N-prop-2-ynylacetamide
SMILESC#CCN(CC1CC1)C(=O)COC
InChIInChI=1S/C10H15NO2/c1-3-6-11(7-9-4-5-9)10(12)8-13-2/h1,9H,4-8H2,2H3
InChIKeyYFNPAJAKGUIYHB-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.50
Rot. Bonds5

About N-(cyclopropylmethyl)-2-methoxy-N-prop-2-ynylacetamide

N-(cyclopropylmethyl)-2-methoxy-N-prop-2-ynylacetamide (PubChem CID 115532424) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-methoxy-N-prop-2-ynylacetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-methoxy-N-prop-2-ynylacetamide
PubChem CID115532424
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC NameN-(cyclopropylmethyl)-2-methoxy-N-prop-2-ynylacetamide
SMILESC#CCN(CC1CC1)C(=O)COC
InChIInChI=1S/C10H15NO2/c1-3-6-11(7-9-4-5-9)10(12)8-13-2/h1,9H,4-8H2,2H3
InChIKeyYFNPAJAKGUIYHB-UHFFFAOYSA-N
XLogP0.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(cyclopropylmethyl)-2-methoxy-N-prop-2-ynylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-methoxy-N-prop-2-ynylacetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-methoxy-N-prop-2-ynylacetamide (CID 115532424) is N-(cyclopropylmethyl)-2-methoxy-N-prop-2-ynylacetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-methoxy-N-prop-2-ynylacetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-methoxy-N-prop-2-ynylacetamide is C#CCN(CC1CC1)C(=O)COC.
What is the InChIKey of N-(cyclopropylmethyl)-2-methoxy-N-prop-2-ynylacetamide?
The InChIKey is YFNPAJAKGUIYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-3-6-11(7-9-4-5-9)10(12)8-13-2/h1,9H,4-8H2,2H3.
What are the key properties of N-(cyclopropylmethyl)-2-methoxy-N-prop-2-ynylacetamide?
N-(cyclopropylmethyl)-2-methoxy-N-prop-2-ynylacetamide has a molecular weight of 181.24 g/mol, XLogP of 0.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-methoxy-N-prop-2-ynylacetamide is sourced from PubChem (CID 115532424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).