2,2-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide

C18H32N2O2 — CID 47016936

IUPAC2,2-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SMILESCC(C)=CC1C(C(=O)NCC(C)(C)N2CCOCC2)C1(C)C
InChIInChI=1S/C18H32N2O2/c1-13(2)11-14-15(18(14,5)6)16(21)19-12-17(3,4)20-7-9-22-10-8-20/h11,14-15H,7-10,12H2,1-6H3,(H,19,21)
InChIKeyPNNQNZVQEOEJLB-UHFFFAOYSA-N
MW308.47 g/mol
LogP2.45
Rot. Bonds5

About 2,2-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide

2,2-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (PubChem CID 47016936) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
PubChem CID47016936
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC Name2,2-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SMILESCC(C)=CC1C(C(=O)NCC(C)(C)N2CCOCC2)C1(C)C
InChIInChI=1S/C18H32N2O2/c1-13(2)11-14-15(18(14,5)6)16(21)19-12-17(3,4)20-7-9-22-10-8-20/h11,14-15H,7-10,12H2,1-6H3,(H,19,21)
InChIKeyPNNQNZVQEOEJLB-UHFFFAOYSA-N
XLogP2.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2,2-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The IUPAC name of 2,2-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (CID 47016936) is 2,2-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is CC(C)=CC1C(C(=O)NCC(C)(C)N2CCOCC2)C1(C)C.
What is the InChIKey of 2,2-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The InChIKey is PNNQNZVQEOEJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2/c1-13(2)11-14-15(18(14,5)6)16(21)19-12-17(3,4)20-7-9-22-10-8-20/h11,14-15H,7-10,12H2,1-6H3,(H,19,21).
What are the key properties of 2,2-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
2,2-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide has a molecular weight of 308.47 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 47016936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).