cis-(1S,3S)-N-(2-methoxyethyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide

C13H23NO2 — CID 94181241

IUPACcis-(1S,3S)-N-(2-methoxyethyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SMILESCOCCNC(=O)[C@H]1[C@H](C=C(C)C)C1(C)C
InChIInChI=1S/C13H23NO2/c1-9(2)8-10-11(13(10,3)4)12(15)14-6-7-16-5/h8,10-11H,6-7H2,1-5H3,(H,14,15)/t10-,11+/m0/s1
InChIKeyMCFAAWNMLVCPCC-WDEREUQCSA-N
MW225.33 g/mol
LogP1.99
Rot. Bonds5

About cis-(1S,3S)-N-(2-methoxyethyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide

cis-(1S,3S)-N-(2-methoxyethyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (PubChem CID 94181241) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is cis-(1S,3S)-N-(2-methoxyethyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,3S)-N-(2-methoxyethyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
PubChem CID94181241
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Namecis-(1S,3S)-N-(2-methoxyethyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SMILESCOCCNC(=O)[C@H]1[C@H](C=C(C)C)C1(C)C
InChIInChI=1S/C13H23NO2/c1-9(2)8-10-11(13(10,3)4)12(15)14-6-7-16-5/h8,10-11H,6-7H2,1-5H3,(H,14,15)/t10-,11+/m0/s1
InChIKeyMCFAAWNMLVCPCC-WDEREUQCSA-N
XLogP1.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cis-(1R,3R)-N-(3-methoxypropyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 94180392
tert-butyl N-[2-[[(1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]ethyl]carbamate
CID 97022054
trans-(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide
CID 94657623
trans-(1S,3R)-N-[(2S)-1-methoxypropan-2-yl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 99851382
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 111433877
trans-(1S,3R)-N-[(2S,4R)-4-hydroxy-2-methylpentyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 100852278
ethyl N-[[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]carbamate
CID 31339526
ethyl N-[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]carbamate
CID 31339522
2-[[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]-N-(2-phenoxyethyl)benzamide
CID 7330881
trans-(1R,3S)-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 38781722
trans-(1R,3S)-N-[[1-(dimethylamino)cyclopentyl]methyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 95146570
2,2-dimethyl-N-[4-(N-methylanilino)butyl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 60566304

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3S)-N-(2-methoxyethyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,3S)-N-(2-methoxyethyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (CID 94181241) is cis-(1S,3S)-N-(2-methoxyethyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,3S)-N-(2-methoxyethyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,3S)-N-(2-methoxyethyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is COCCNC(=O)[C@H]1[C@H](C=C(C)C)C1(C)C.
What is the InChIKey of cis-(1S,3S)-N-(2-methoxyethyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The InChIKey is MCFAAWNMLVCPCC-WDEREUQCSA-N. The full InChI is InChI=1S/C13H23NO2/c1-9(2)8-10-11(13(10,3)4)12(15)14-6-7-16-5/h8,10-11H,6-7H2,1-5H3,(H,14,15)/t10-,11+/m0/s1.
What are the key properties of cis-(1S,3S)-N-(2-methoxyethyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
cis-(1S,3S)-N-(2-methoxyethyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide has a molecular weight of 225.33 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3S)-N-(2-methoxyethyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 94181241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).