2,6-dimethyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]morpholine-4-carboxamide

C19H28N2O2 — CID 2883152

IUPAC2,6-dimethyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]morpholine-4-carboxamide
SMILESC=C(C)c1cccc(C(C)(C)NC(=O)N2CC(C)OC(C)C2)c1
InChIInChI=1S/C19H28N2O2/c1-13(2)16-8-7-9-17(10-16)19(5,6)20-18(22)21-11-14(3)23-15(4)12-21/h7-10,14-15H,1,11-12H2,2-6H3,(H,20,22)
InChIKeyZBTQNFDZBZMMIU-UHFFFAOYSA-N
MW316.45 g/mol
LogP3.77
Rot. Bonds3

About 2,6-dimethyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]morpholine-4-carboxamide

2,6-dimethyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]morpholine-4-carboxamide (PubChem CID 2883152) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 2,6-dimethyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound Name2,6-dimethyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]morpholine-4-carboxamide
PubChem CID2883152
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC Name2,6-dimethyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]morpholine-4-carboxamide
SMILESC=C(C)c1cccc(C(C)(C)NC(=O)N2CC(C)OC(C)C2)c1
InChIInChI=1S/C19H28N2O2/c1-13(2)16-8-7-9-17(10-16)19(5,6)20-18(22)21-11-14(3)23-15(4)12-21/h7-10,14-15H,1,11-12H2,2-6H3,(H,20,22)
InChIKeyZBTQNFDZBZMMIU-UHFFFAOYSA-N
XLogP3.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]morpholine-4-carboxamide?
The IUPAC name of 2,6-dimethyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]morpholine-4-carboxamide (CID 2883152) is 2,6-dimethyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for 2,6-dimethyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]morpholine-4-carboxamide?
The canonical SMILES for 2,6-dimethyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]morpholine-4-carboxamide is C=C(C)c1cccc(C(C)(C)NC(=O)N2CC(C)OC(C)C2)c1.
What is the InChIKey of 2,6-dimethyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]morpholine-4-carboxamide?
The InChIKey is ZBTQNFDZBZMMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-13(2)16-8-7-9-17(10-16)19(5,6)20-18(22)21-11-14(3)23-15(4)12-21/h7-10,14-15H,1,11-12H2,2-6H3,(H,20,22).
What are the key properties of 2,6-dimethyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]morpholine-4-carboxamide?
2,6-dimethyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]morpholine-4-carboxamide has a molecular weight of 316.45 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 2883152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).