cis-(1R,3R)-2,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide

C13H22N2O2 — CID 32561740

IUPACcis-(1R,3R)-2,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SMILESCNC(=O)CNC(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C
InChIInChI=1S/C13H22N2O2/c1-8(2)6-9-11(13(9,3)4)12(17)15-7-10(16)14-5/h6,9,11H,7H2,1-5H3,(H,14,16)(H,15,17)/t9-,11+/m1/s1
InChIKeyYPSKBGCBIYNBOW-KOLCDFICSA-N
MW238.33 g/mol
LogP1.09
Rot. Bonds4

About cis-(1R,3R)-2,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide

cis-(1R,3R)-2,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (PubChem CID 32561740) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is cis-(1R,3R)-2,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,3R)-2,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
PubChem CID32561740
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Namecis-(1R,3R)-2,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SMILESCNC(=O)CNC(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C
InChIInChI=1S/C13H22N2O2/c1-8(2)6-9-11(13(9,3)4)12(17)15-7-10(16)14-5/h6,9,11H,7H2,1-5H3,(H,14,16)(H,15,17)/t9-,11+/m1/s1
InChIKeyYPSKBGCBIYNBOW-KOLCDFICSA-N
XLogP1.09
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3R)-2,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,3R)-2,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (CID 32561740) is cis-(1R,3R)-2,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,3R)-2,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,3R)-2,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is CNC(=O)CNC(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C.
What is the InChIKey of cis-(1R,3R)-2,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The InChIKey is YPSKBGCBIYNBOW-KOLCDFICSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-8(2)6-9-11(13(9,3)4)12(17)15-7-10(16)14-5/h6,9,11H,7H2,1-5H3,(H,14,16)(H,15,17)/t9-,11+/m1/s1.
What are the key properties of cis-(1R,3R)-2,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
cis-(1R,3R)-2,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide has a molecular weight of 238.33 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3R)-2,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 32561740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).