N,N-diethyl-2-(4-propan-2-ylphenyl)morpholine-4-carboxamide

C18H28N2O2 — CID 110364135

IUPACN,N-diethyl-2-(4-propan-2-ylphenyl)morpholine-4-carboxamide
SMILESCCN(CC)C(=O)N1CCOC(c2ccc(C(C)C)cc2)C1
InChIInChI=1S/C18H28N2O2/c1-5-19(6-2)18(21)20-11-12-22-17(13-20)16-9-7-15(8-10-16)14(3)4/h7-10,14,17H,5-6,11-13H2,1-4H3
InChIKeyRFDXNBSBZIJVAM-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.65
Rot. Bonds4

About N,N-diethyl-2-(4-propan-2-ylphenyl)morpholine-4-carboxamide

N,N-diethyl-2-(4-propan-2-ylphenyl)morpholine-4-carboxamide (PubChem CID 110364135) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N,N-diethyl-2-(4-propan-2-ylphenyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-2-(4-propan-2-ylphenyl)morpholine-4-carboxamide
PubChem CID110364135
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN,N-diethyl-2-(4-propan-2-ylphenyl)morpholine-4-carboxamide
SMILESCCN(CC)C(=O)N1CCOC(c2ccc(C(C)C)cc2)C1
InChIInChI=1S/C18H28N2O2/c1-5-19(6-2)18(21)20-11-12-22-17(13-20)16-9-7-15(8-10-16)14(3)4/h7-10,14,17H,5-6,11-13H2,1-4H3
InChIKeyRFDXNBSBZIJVAM-UHFFFAOYSA-N
XLogP3.65
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-(4-propan-2-ylphenyl)morpholine-4-carboxylate
CID 110364133
methyl 2-(4-propan-2-ylphenyl)morpholine-4-carboxylate
CID 110364132
2-(3-bromophenyl)-N,N-diethylmorpholine-4-carboxamide
CID 110364441
[2-[4-(dimethylamino)phenyl]morpholin-4-yl]-(4-propan-2-ylphenyl)methanone
CID 110364195
(2-phenylmorpholin-4-yl)-(4-propan-2-ylphenyl)methanone
CID 84510718
2-(4-methoxyphenyl)-1-[2-(4-propan-2-ylphenyl)morpholin-4-yl]ethanone
CID 110364120
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-ethylbutan-1-one
CID 110327064
1-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-2-(dimethylamino)ethanone
CID 95205970
2-(4-propan-2-ylphenyl)-4-propylsulfonylmorpholine
CID 110364143
1-[2-(4-ethylphenyl)morpholin-4-yl]ethanone
CID 71684128
N-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]-N'-(4-propan-2-ylphenyl)oxamide
CID 30851199
4-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]-2-methylbutan-1-one
CID 80543163

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(4-propan-2-ylphenyl)morpholine-4-carboxamide?
The IUPAC name of N,N-diethyl-2-(4-propan-2-ylphenyl)morpholine-4-carboxamide (CID 110364135) is N,N-diethyl-2-(4-propan-2-ylphenyl)morpholine-4-carboxamide.
What is the SMILES notation for N,N-diethyl-2-(4-propan-2-ylphenyl)morpholine-4-carboxamide?
The canonical SMILES for N,N-diethyl-2-(4-propan-2-ylphenyl)morpholine-4-carboxamide is CCN(CC)C(=O)N1CCOC(c2ccc(C(C)C)cc2)C1.
What is the InChIKey of N,N-diethyl-2-(4-propan-2-ylphenyl)morpholine-4-carboxamide?
The InChIKey is RFDXNBSBZIJVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-5-19(6-2)18(21)20-11-12-22-17(13-20)16-9-7-15(8-10-16)14(3)4/h7-10,14,17H,5-6,11-13H2,1-4H3.
What are the key properties of N,N-diethyl-2-(4-propan-2-ylphenyl)morpholine-4-carboxamide?
N,N-diethyl-2-(4-propan-2-ylphenyl)morpholine-4-carboxamide has a molecular weight of 304.43 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(4-propan-2-ylphenyl)morpholine-4-carboxamide is sourced from PubChem (CID 110364135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).