N-methoxy-2-(3-methoxyphenyl)-N-methylcyclopropane-1-carboxamide

C13H17NO3 — CID 22347517

IUPACN-methoxy-2-(3-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
SMILESCOc1cccc(C2CC2C(=O)N(C)OC)c1
InChIInChI=1S/C13H17NO3/c1-14(17-3)13(15)12-8-11(12)9-5-4-6-10(7-9)16-2/h4-7,11-12H,8H2,1-3H3
InChIKeyDPNMCSCGEFCQEF-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.82
Rot. Bonds4

About N-methoxy-2-(3-methoxyphenyl)-N-methylcyclopropane-1-carboxamide

N-methoxy-2-(3-methoxyphenyl)-N-methylcyclopropane-1-carboxamide (PubChem CID 22347517) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is N-methoxy-2-(3-methoxyphenyl)-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-methoxy-2-(3-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
PubChem CID22347517
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC NameN-methoxy-2-(3-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
SMILESCOc1cccc(C2CC2C(=O)N(C)OC)c1
InChIInChI=1S/C13H17NO3/c1-14(17-3)13(15)12-8-11(12)9-5-4-6-10(7-9)16-2/h4-7,11-12H,8H2,1-3H3
InChIKeyDPNMCSCGEFCQEF-UHFFFAOYSA-N
XLogP1.82
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.82
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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Related Compounds

2-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]-methylamino]propanoic acid
CID 119209130
1-[(1S,2S)-2-(3-methoxyphenyl)cyclopropyl]ethanone
CID 28912388
2-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]-(2-methylpropyl)amino]acetic acid
CID 119193022
trans-(1R,2R)-2-(1H-indol-5-yl)-N-methoxy-N-methylcyclopropane-1-carboxamide
CID 71615677
trans-(1R,2R)-2-(4-bromophenyl)-N-methoxy-N-methylcyclopropane-1-carboxamide
CID 15141054
(3S,4R)-4-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 2762171
2-(4-chlorophenyl)-N-methoxy-N-methylcyclopropane-1-carboxamide;ethane
CID 142901928
trans-(1R,2R)-2-(3-methoxyphenyl)-N-methyl-N-[(2S)-2-(2H-tetrazol-5-yl)propyl]cyclopropane-1-carboxamide
CID 129437157
2-(3-methoxyphenyl)-4-propylcyclohexane-1-carboxylic acid
CID 81020565
trans-(1R,2R)-2-(3-methoxyphenyl)-N-(4-methylsulfonylphenyl)cyclopropane-1-carboxamide
CID 124546247
trans-(1S,2S)-2-(3-methoxyphenyl)-N-(4-methylsulfonylphenyl)cyclopropane-1-carboxamide
CID 124546246
(3R,4R)-4-(3-methoxyphenyl)-1-methylpyrrolidine-3-carboxylic acid
CID 99962564

Frequently Asked Questions

What is the IUPAC name of N-methoxy-2-(3-methoxyphenyl)-N-methylcyclopropane-1-carboxamide?
The IUPAC name of N-methoxy-2-(3-methoxyphenyl)-N-methylcyclopropane-1-carboxamide (CID 22347517) is N-methoxy-2-(3-methoxyphenyl)-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-methoxy-2-(3-methoxyphenyl)-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-methoxy-2-(3-methoxyphenyl)-N-methylcyclopropane-1-carboxamide is COc1cccc(C2CC2C(=O)N(C)OC)c1.
What is the InChIKey of N-methoxy-2-(3-methoxyphenyl)-N-methylcyclopropane-1-carboxamide?
The InChIKey is DPNMCSCGEFCQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-14(17-3)13(15)12-8-11(12)9-5-4-6-10(7-9)16-2/h4-7,11-12H,8H2,1-3H3.
What are the key properties of N-methoxy-2-(3-methoxyphenyl)-N-methylcyclopropane-1-carboxamide?
N-methoxy-2-(3-methoxyphenyl)-N-methylcyclopropane-1-carboxamide has a molecular weight of 235.28 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-2-(3-methoxyphenyl)-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 22347517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).