benzene;N-methoxy-N-methylcyclopropanecarboxamide

C18H23NO2 — CID 170770192

IUPACbenzene;N-methoxy-N-methylcyclopropanecarboxamide
SMILESCON(C)C(=O)C1CC1.c1ccccc1.c1ccccc1
InChIInChI=1S/C6H11NO2.2C6H6/c1-7(9-2)6(8)5-3-4-5;2*1-2-4-6-5-3-1/h5H,3-4H2,1-2H3;2*1-6H
InChIKeySDKXPPMPFRHKEQ-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.79
Rot. Bonds2

About benzene;N-methoxy-N-methylcyclopropanecarboxamide

benzene;N-methoxy-N-methylcyclopropanecarboxamide (PubChem CID 170770192) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is benzene;N-methoxy-N-methylcyclopropanecarboxamide.

Molecular Properties

Compound Namebenzene;N-methoxy-N-methylcyclopropanecarboxamide
PubChem CID170770192
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Namebenzene;N-methoxy-N-methylcyclopropanecarboxamide
SMILESCON(C)C(=O)C1CC1.c1ccccc1.c1ccccc1
InChIInChI=1S/C6H11NO2.2C6H6/c1-7(9-2)6(8)5-3-4-5;2*1-2-4-6-5-3-1/h5H,3-4H2,1-2H3;2*1-6H
InChIKeySDKXPPMPFRHKEQ-UHFFFAOYSA-N
XLogP3.79
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 benzene;N-methoxy-N-methylcyclopropanecarboxamide?
The IUPAC name of benzene;N-methoxy-N-methylcyclopropanecarboxamide (CID 170770192) is benzene;N-methoxy-N-methylcyclopropanecarboxamide.
What is the SMILES notation for benzene;N-methoxy-N-methylcyclopropanecarboxamide?
The canonical SMILES for benzene;N-methoxy-N-methylcyclopropanecarboxamide is CON(C)C(=O)C1CC1.c1ccccc1.c1ccccc1.
What is the InChIKey of benzene;N-methoxy-N-methylcyclopropanecarboxamide?
The InChIKey is SDKXPPMPFRHKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2.2C6H6/c1-7(9-2)6(8)5-3-4-5;2*1-2-4-6-5-3-1/h5H,3-4H2,1-2H3;2*1-6H.
What are the key properties of benzene;N-methoxy-N-methylcyclopropanecarboxamide?
benzene;N-methoxy-N-methylcyclopropanecarboxamide has a molecular weight of 285.39 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;N-methoxy-N-methylcyclopropanecarboxamide is sourced from PubChem (CID 170770192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).