2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]cyclopropane-1-carboxamide

C19H34N2O2 — CID 47016973

IUPAC2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]cyclopropane-1-carboxamide
SMILESCC(C)=CC1C(C(=O)NCC2CN(CC(C)C)CCO2)C1(C)C
InChIInChI=1S/C19H34N2O2/c1-13(2)9-16-17(19(16,5)6)18(22)20-10-15-12-21(7-8-23-15)11-14(3)4/h9,14-17H,7-8,10-12H2,1-6H3,(H,20,22)
InChIKeyBUFJIMXFLQPGNB-UHFFFAOYSA-N
MW322.49 g/mol
LogP2.70
Rot. Bonds6

About 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]cyclopropane-1-carboxamide

2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]cyclopropane-1-carboxamide (PubChem CID 47016973) has the molecular formula C19H34N2O2 and a molecular weight of 322.49 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]cyclopropane-1-carboxamide
PubChem CID47016973
Molecular FormulaC19H34N2O2
Molecular Weight322.49 g/mol
Exact Mass322.26
IUPAC Name2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]cyclopropane-1-carboxamide
SMILESCC(C)=CC1C(C(=O)NCC2CN(CC(C)C)CCO2)C1(C)C
InChIInChI=1S/C19H34N2O2/c1-13(2)9-16-17(19(16,5)6)18(22)20-10-15-12-21(7-8-23-15)11-14(3)4/h9,14-17H,7-8,10-12H2,1-6H3,(H,20,22)
InChIKeyBUFJIMXFLQPGNB-UHFFFAOYSA-N
XLogP2.70
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.49
LogP ≤ 52.70
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-3-(2-methylprop-1-enyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]cyclopropane-1-carboxamide (CID 47016973) is 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]cyclopropane-1-carboxamide is CC(C)=CC1C(C(=O)NCC2CN(CC(C)C)CCO2)C1(C)C.
What is the InChIKey of 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]cyclopropane-1-carboxamide?
The InChIKey is BUFJIMXFLQPGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O2/c1-13(2)9-16-17(19(16,5)6)18(22)20-10-15-12-21(7-8-23-15)11-14(3)4/h9,14-17H,7-8,10-12H2,1-6H3,(H,20,22).
What are the key properties of 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]cyclopropane-1-carboxamide?
2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]cyclopropane-1-carboxamide has a molecular weight of 322.49 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 47016973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).