N-(methoxymethyl)-1-phenylcyclopropane-1-carboxamide

C12H15NO2 — CID 50941599

IUPACN-(methoxymethyl)-1-phenylcyclopropane-1-carboxamide
SMILESCOCNC(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C12H15NO2/c1-15-9-13-11(14)12(7-8-12)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,13,14)
InChIKeyXQEMLBOPSJTJDM-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.44
Rot. Bonds4

About N-(methoxymethyl)-1-phenylcyclopropane-1-carboxamide

N-(methoxymethyl)-1-phenylcyclopropane-1-carboxamide (PubChem CID 50941599) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is N-(methoxymethyl)-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(methoxymethyl)-1-phenylcyclopropane-1-carboxamide
PubChem CID50941599
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC NameN-(methoxymethyl)-1-phenylcyclopropane-1-carboxamide
SMILESCOCNC(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C12H15NO2/c1-15-9-13-11(14)12(7-8-12)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,13,14)
InChIKeyXQEMLBOPSJTJDM-UHFFFAOYSA-N
XLogP1.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(3-hydroxy-4-methoxybutyl)-1-phenylcyclopropane-1-carboxamide
CID 103876902
N-ethyl-1-phenylcyclopentane-1-carboxamide
CID 778764
N-[[2-(methoxymethyl)phenyl]methyl]-1-phenylcyclobutane-1-carboxamide
CID 33068095
N-(3-hydroxy-2-methylpropyl)-1-phenylcyclopropane-1-carboxamide
CID 65036967
N-(3-iodopropyl)-1-phenylcyclopropane-1-carboxamide
CID 114504381
N-[(4-aminocyclohexyl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 106124685
N-(3-phenoxypropyl)-1-phenylcyclopropane-1-carboxamide
CID 33175947
1-phenyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 30944923
N-(cyclopropylmethyl)-1-phenylcyclobutane-1-carboxamide
CID 34832176
1-phenyl-N-prop-2-ynylcyclopentane-1-carboxamide
CID 3502892
N-[(4-fluorophenyl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 2540117
N-[[1-(bromomethyl)cyclopropyl]methyl]-1-phenylcyclopropane-1-carboxamide
CID 113313525

Frequently Asked Questions

What is the IUPAC name of N-(methoxymethyl)-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-(methoxymethyl)-1-phenylcyclopropane-1-carboxamide (CID 50941599) is N-(methoxymethyl)-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(methoxymethyl)-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-(methoxymethyl)-1-phenylcyclopropane-1-carboxamide is COCNC(=O)C1(c2ccccc2)CC1.
What is the InChIKey of N-(methoxymethyl)-1-phenylcyclopropane-1-carboxamide?
The InChIKey is XQEMLBOPSJTJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-15-9-13-11(14)12(7-8-12)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,13,14).
What are the key properties of N-(methoxymethyl)-1-phenylcyclopropane-1-carboxamide?
N-(methoxymethyl)-1-phenylcyclopropane-1-carboxamide has a molecular weight of 205.26 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methoxymethyl)-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 50941599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).