N-[[2-(methoxymethyl)phenyl]methyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide

C19H27NO2 — CID 134023213

IUPACN-[[2-(methoxymethyl)phenyl]methyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SMILESCOCc1ccccc1CNC(=O)C1C(C=C(C)C)C1(C)C
InChIInChI=1S/C19H27NO2/c1-13(2)10-16-17(19(16,3)4)18(21)20-11-14-8-6-7-9-15(14)12-22-5/h6-10,16-17H,11-12H2,1-5H3,(H,20,21)
InChIKeyDRIZMVXBHROTCW-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.69
Rot. Bonds6

About N-[[2-(methoxymethyl)phenyl]methyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide

N-[[2-(methoxymethyl)phenyl]methyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (PubChem CID 134023213) has the molecular formula C19H27NO2 and a molecular weight of 301.43 g/mol. Its IUPAC name is N-[[2-(methoxymethyl)phenyl]methyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[[2-(methoxymethyl)phenyl]methyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
PubChem CID134023213
Molecular FormulaC19H27NO2
Molecular Weight301.43 g/mol
Exact Mass301.20
IUPAC NameN-[[2-(methoxymethyl)phenyl]methyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SMILESCOCc1ccccc1CNC(=O)C1C(C=C(C)C)C1(C)C
InChIInChI=1S/C19H27NO2/c1-13(2)10-16-17(19(16,3)4)18(21)20-11-14-8-6-7-9-15(14)12-22-5/h6-10,16-17H,11-12H2,1-5H3,(H,20,21)
InChIKeyDRIZMVXBHROTCW-UHFFFAOYSA-N
XLogP3.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[[2-(methoxymethyl)phenyl]methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64837104
2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 51281385
N-[(4-hydroxyphenyl)methyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 47148517
2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]cyclopropane-1-carboxamide
CID 24626058
cis-(1S,3S)-N-(2-methoxyethyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 94181241
2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(3,4,5-trimethoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 51272726
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[[2-(methoxymethyl)phenyl]methyl]urea
CID 110924335
N-[(1,3-diphenylpyrazol-4-yl)methyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 18208846
cis-(1R,3R)-N-(3-methoxypropyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 94180392
N-[2-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]ethyl]-2-hydroxybenzamide
CID 60572075
trans-benzyl (1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
CID 139984141
2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 60604723

Frequently Asked Questions

What is the IUPAC name of N-[[2-(methoxymethyl)phenyl]methyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[[2-(methoxymethyl)phenyl]methyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (CID 134023213) is N-[[2-(methoxymethyl)phenyl]methyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[[2-(methoxymethyl)phenyl]methyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[[2-(methoxymethyl)phenyl]methyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is COCc1ccccc1CNC(=O)C1C(C=C(C)C)C1(C)C.
What is the InChIKey of N-[[2-(methoxymethyl)phenyl]methyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The InChIKey is DRIZMVXBHROTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO2/c1-13(2)10-16-17(19(16,3)4)18(21)20-11-14-8-6-7-9-15(14)12-22-5/h6-10,16-17H,11-12H2,1-5H3,(H,20,21).
What are the key properties of N-[[2-(methoxymethyl)phenyl]methyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
N-[[2-(methoxymethyl)phenyl]methyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide has a molecular weight of 301.43 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methoxymethyl)phenyl]methyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 134023213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).