N-(2,2-dimethylpropyl)-3-phenylmorpholine-4-carboxamide

C16H24N2O2 — CID 110748599

IUPACN-(2,2-dimethylpropyl)-3-phenylmorpholine-4-carboxamide
SMILESCC(C)(C)CNC(=O)N1CCOCC1c1ccccc1
InChIInChI=1S/C16H24N2O2/c1-16(2,3)12-17-15(19)18-9-10-20-11-14(18)13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,17,19)
InChIKeyHMRGNJFWVVPEII-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.82
Rot. Bonds2

About N-(2,2-dimethylpropyl)-3-phenylmorpholine-4-carboxamide

N-(2,2-dimethylpropyl)-3-phenylmorpholine-4-carboxamide (PubChem CID 110748599) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-3-phenylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-3-phenylmorpholine-4-carboxamide
PubChem CID110748599
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-(2,2-dimethylpropyl)-3-phenylmorpholine-4-carboxamide
SMILESCC(C)(C)CNC(=O)N1CCOCC1c1ccccc1
InChIInChI=1S/C16H24N2O2/c1-16(2,3)12-17-15(19)18-9-10-20-11-14(18)13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,17,19)
InChIKeyHMRGNJFWVVPEII-UHFFFAOYSA-N
XLogP2.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-3-phenylmorpholine-4-carboxamide?
The IUPAC name of N-(2,2-dimethylpropyl)-3-phenylmorpholine-4-carboxamide (CID 110748599) is N-(2,2-dimethylpropyl)-3-phenylmorpholine-4-carboxamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-3-phenylmorpholine-4-carboxamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-3-phenylmorpholine-4-carboxamide is CC(C)(C)CNC(=O)N1CCOCC1c1ccccc1.
What is the InChIKey of N-(2,2-dimethylpropyl)-3-phenylmorpholine-4-carboxamide?
The InChIKey is HMRGNJFWVVPEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-16(2,3)12-17-15(19)18-9-10-20-11-14(18)13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,17,19).
What are the key properties of N-(2,2-dimethylpropyl)-3-phenylmorpholine-4-carboxamide?
N-(2,2-dimethylpropyl)-3-phenylmorpholine-4-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-3-phenylmorpholine-4-carboxamide is sourced from PubChem (CID 110748599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).