2-[4-(cyclopropanecarbonyl)phenyl]-N-methoxy-N-methylpropanamide

C15H19NO3 — CID 10199116

IUPAC2-[4-(cyclopropanecarbonyl)phenyl]-N-methoxy-N-methylpropanamide
SMILESCON(C)C(=O)C(C)c1ccc(C(=O)C2CC2)cc1
InChIInChI=1S/C15H19NO3/c1-10(15(18)16(2)19-3)11-4-6-12(7-5-11)14(17)13-8-9-13/h4-7,10,13H,8-9H2,1-3H3
InChIKeyCPWXFLRLETWSNM-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.40
Rot. Bonds5

About 2-[4-(cyclopropanecarbonyl)phenyl]-N-methoxy-N-methylpropanamide

2-[4-(cyclopropanecarbonyl)phenyl]-N-methoxy-N-methylpropanamide (PubChem CID 10199116) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[4-(cyclopropanecarbonyl)phenyl]-N-methoxy-N-methylpropanamide.

Molecular Properties

Compound Name2-[4-(cyclopropanecarbonyl)phenyl]-N-methoxy-N-methylpropanamide
PubChem CID10199116
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-[4-(cyclopropanecarbonyl)phenyl]-N-methoxy-N-methylpropanamide
SMILESCON(C)C(=O)C(C)c1ccc(C(=O)C2CC2)cc1
InChIInChI=1S/C15H19NO3/c1-10(15(18)16(2)19-3)11-4-6-12(7-5-11)14(17)13-8-9-13/h4-7,10,13H,8-9H2,1-3H3
InChIKeyCPWXFLRLETWSNM-UHFFFAOYSA-N
XLogP2.40
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropanecarbonyl)phenyl]-N-methoxy-N-methylpropanamide?
The IUPAC name of 2-[4-(cyclopropanecarbonyl)phenyl]-N-methoxy-N-methylpropanamide (CID 10199116) is 2-[4-(cyclopropanecarbonyl)phenyl]-N-methoxy-N-methylpropanamide.
What is the SMILES notation for 2-[4-(cyclopropanecarbonyl)phenyl]-N-methoxy-N-methylpropanamide?
The canonical SMILES for 2-[4-(cyclopropanecarbonyl)phenyl]-N-methoxy-N-methylpropanamide is CON(C)C(=O)C(C)c1ccc(C(=O)C2CC2)cc1.
What is the InChIKey of 2-[4-(cyclopropanecarbonyl)phenyl]-N-methoxy-N-methylpropanamide?
The InChIKey is CPWXFLRLETWSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-10(15(18)16(2)19-3)11-4-6-12(7-5-11)14(17)13-8-9-13/h4-7,10,13H,8-9H2,1-3H3.
What are the key properties of 2-[4-(cyclopropanecarbonyl)phenyl]-N-methoxy-N-methylpropanamide?
2-[4-(cyclopropanecarbonyl)phenyl]-N-methoxy-N-methylpropanamide has a molecular weight of 261.32 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropanecarbonyl)phenyl]-N-methoxy-N-methylpropanamide is sourced from PubChem (CID 10199116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).