N-methoxy-N-methyl-1-phenylmethoxycyclopropane-1-carboxamide

C13H17NO3 — CID 164919372

IUPACN-methoxy-N-methyl-1-phenylmethoxycyclopropane-1-carboxamide
SMILESCON(C)C(=O)C1(OCc2ccccc2)CC1
InChIInChI=1S/C13H17NO3/c1-14(16-2)12(15)13(8-9-13)17-10-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3
InChIKeyITUKIWYTLHBJEK-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.76
Rot. Bonds5

About N-methoxy-N-methyl-1-phenylmethoxycyclopropane-1-carboxamide

N-methoxy-N-methyl-1-phenylmethoxycyclopropane-1-carboxamide (PubChem CID 164919372) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is N-methoxy-N-methyl-1-phenylmethoxycyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-1-phenylmethoxycyclopropane-1-carboxamide
PubChem CID164919372
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC NameN-methoxy-N-methyl-1-phenylmethoxycyclopropane-1-carboxamide
SMILESCON(C)C(=O)C1(OCc2ccccc2)CC1
InChIInChI=1S/C13H17NO3/c1-14(16-2)12(15)13(8-9-13)17-10-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3
InChIKeyITUKIWYTLHBJEK-UHFFFAOYSA-N
XLogP1.76
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.76
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 N-methoxy-N-methyl-1-phenylmethoxycyclopropane-1-carboxamide?
The IUPAC name of N-methoxy-N-methyl-1-phenylmethoxycyclopropane-1-carboxamide (CID 164919372) is N-methoxy-N-methyl-1-phenylmethoxycyclopropane-1-carboxamide.
What is the SMILES notation for N-methoxy-N-methyl-1-phenylmethoxycyclopropane-1-carboxamide?
The canonical SMILES for N-methoxy-N-methyl-1-phenylmethoxycyclopropane-1-carboxamide is CON(C)C(=O)C1(OCc2ccccc2)CC1.
What is the InChIKey of N-methoxy-N-methyl-1-phenylmethoxycyclopropane-1-carboxamide?
The InChIKey is ITUKIWYTLHBJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-14(16-2)12(15)13(8-9-13)17-10-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3.
What are the key properties of N-methoxy-N-methyl-1-phenylmethoxycyclopropane-1-carboxamide?
N-methoxy-N-methyl-1-phenylmethoxycyclopropane-1-carboxamide has a molecular weight of 235.28 g/mol, XLogP of 1.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-1-phenylmethoxycyclopropane-1-carboxamide is sourced from PubChem (CID 164919372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).