2-cyclobutyl-N-methoxy-N-methyl-2-[3-(prop-2-enylamino)phenyl]acetamide

C17H24N2O2 — CID 167186642

IUPAC2-cyclobutyl-N-methoxy-N-methyl-2-[3-(prop-2-enylamino)phenyl]acetamide
SMILESC=CCNc1cccc(C(C(=O)N(C)OC)C2CCC2)c1
InChIInChI=1S/C17H24N2O2/c1-4-11-18-15-10-6-9-14(12-15)16(13-7-5-8-13)17(20)19(2)21-3/h4,6,9-10,12-13,16,18H,1,5,7-8,11H2,2-3H3
InChIKeyUHKDEZUPZSCVIG-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.19
Rot. Bonds7

About 2-cyclobutyl-N-methoxy-N-methyl-2-[3-(prop-2-enylamino)phenyl]acetamide

2-cyclobutyl-N-methoxy-N-methyl-2-[3-(prop-2-enylamino)phenyl]acetamide (PubChem CID 167186642) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-cyclobutyl-N-methoxy-N-methyl-2-[3-(prop-2-enylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-cyclobutyl-N-methoxy-N-methyl-2-[3-(prop-2-enylamino)phenyl]acetamide
PubChem CID167186642
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2-cyclobutyl-N-methoxy-N-methyl-2-[3-(prop-2-enylamino)phenyl]acetamide
SMILESC=CCNc1cccc(C(C(=O)N(C)OC)C2CCC2)c1
InChIInChI=1S/C17H24N2O2/c1-4-11-18-15-10-6-9-14(12-15)16(13-7-5-8-13)17(20)19(2)21-3/h4,6,9-10,12-13,16,18H,1,5,7-8,11H2,2-3H3
InChIKeyUHKDEZUPZSCVIG-UHFFFAOYSA-N
XLogP3.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-methoxy-N-methyl-2-[3-(prop-2-enylamino)phenyl]acetamide?
The IUPAC name of 2-cyclobutyl-N-methoxy-N-methyl-2-[3-(prop-2-enylamino)phenyl]acetamide (CID 167186642) is 2-cyclobutyl-N-methoxy-N-methyl-2-[3-(prop-2-enylamino)phenyl]acetamide.
What is the SMILES notation for 2-cyclobutyl-N-methoxy-N-methyl-2-[3-(prop-2-enylamino)phenyl]acetamide?
The canonical SMILES for 2-cyclobutyl-N-methoxy-N-methyl-2-[3-(prop-2-enylamino)phenyl]acetamide is C=CCNc1cccc(C(C(=O)N(C)OC)C2CCC2)c1.
What is the InChIKey of 2-cyclobutyl-N-methoxy-N-methyl-2-[3-(prop-2-enylamino)phenyl]acetamide?
The InChIKey is UHKDEZUPZSCVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-4-11-18-15-10-6-9-14(12-15)16(13-7-5-8-13)17(20)19(2)21-3/h4,6,9-10,12-13,16,18H,1,5,7-8,11H2,2-3H3.
What are the key properties of 2-cyclobutyl-N-methoxy-N-methyl-2-[3-(prop-2-enylamino)phenyl]acetamide?
2-cyclobutyl-N-methoxy-N-methyl-2-[3-(prop-2-enylamino)phenyl]acetamide has a molecular weight of 288.39 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-methoxy-N-methyl-2-[3-(prop-2-enylamino)phenyl]acetamide is sourced from PubChem (CID 167186642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).