2,6-dimethyl-N-(3-methyl-2-phenylbutyl)morpholine-4-carboxamide

C18H28N2O2 — CID 86984625

IUPAC2,6-dimethyl-N-(3-methyl-2-phenylbutyl)morpholine-4-carboxamide
SMILESCC1CN(C(=O)NCC(c2ccccc2)C(C)C)CC(C)O1
InChIInChI=1S/C18H28N2O2/c1-13(2)17(16-8-6-5-7-9-16)10-19-18(21)20-11-14(3)22-15(4)12-20/h5-9,13-15,17H,10-12H2,1-4H3,(H,19,21)
InChIKeyBZMNGVSWOJILAH-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.24
Rot. Bonds4

About 2,6-dimethyl-N-(3-methyl-2-phenylbutyl)morpholine-4-carboxamide

2,6-dimethyl-N-(3-methyl-2-phenylbutyl)morpholine-4-carboxamide (PubChem CID 86984625) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 2,6-dimethyl-N-(3-methyl-2-phenylbutyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name2,6-dimethyl-N-(3-methyl-2-phenylbutyl)morpholine-4-carboxamide
PubChem CID86984625
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name2,6-dimethyl-N-(3-methyl-2-phenylbutyl)morpholine-4-carboxamide
SMILESCC1CN(C(=O)NCC(c2ccccc2)C(C)C)CC(C)O1
InChIInChI=1S/C18H28N2O2/c1-13(2)17(16-8-6-5-7-9-16)10-19-18(21)20-11-14(3)22-15(4)12-20/h5-9,13-15,17H,10-12H2,1-4H3,(H,19,21)
InChIKeyBZMNGVSWOJILAH-UHFFFAOYSA-N
XLogP3.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-methylpropanoic acid
CID 104959652
2-ethyl-N-(4-hydroxy-2-phenylbutyl)-6-methylmorpholine-4-carboxamide
CID 111455922
(2S,6R)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
CID 42545481
(2S,6S)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
CID 41097584
(2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(2R)-2-phenylpropyl]propanamide
CID 99819793
N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 47027634
N-(furan-2-ylmethyl)-2,6-dimethylmorpholine-4-carboxamide
CID 47125598
N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-2-phenylacetamide
CID 51160848
N-[(2-ethoxyphenoxy)methyl]-2,6-dimethylmorpholine-4-carboxamide
CID 108877135
N-[[2-(methoxymethyl)phenyl]methyl]-2,6-dimethylmorpholine-4-carboxamide
CID 42958139
2-methyl-3-(methylamino)-N-(3-methyl-2-phenylbutyl)propanamide
CID 119732056
2-amino-N-(3-methyl-2-phenylbutyl)acetamide;hydrochloride
CID 119294102

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-(3-methyl-2-phenylbutyl)morpholine-4-carboxamide?
The IUPAC name of 2,6-dimethyl-N-(3-methyl-2-phenylbutyl)morpholine-4-carboxamide (CID 86984625) is 2,6-dimethyl-N-(3-methyl-2-phenylbutyl)morpholine-4-carboxamide.
What is the SMILES notation for 2,6-dimethyl-N-(3-methyl-2-phenylbutyl)morpholine-4-carboxamide?
The canonical SMILES for 2,6-dimethyl-N-(3-methyl-2-phenylbutyl)morpholine-4-carboxamide is CC1CN(C(=O)NCC(c2ccccc2)C(C)C)CC(C)O1.
What is the InChIKey of 2,6-dimethyl-N-(3-methyl-2-phenylbutyl)morpholine-4-carboxamide?
The InChIKey is BZMNGVSWOJILAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-13(2)17(16-8-6-5-7-9-16)10-19-18(21)20-11-14(3)22-15(4)12-20/h5-9,13-15,17H,10-12H2,1-4H3,(H,19,21).
What are the key properties of 2,6-dimethyl-N-(3-methyl-2-phenylbutyl)morpholine-4-carboxamide?
2,6-dimethyl-N-(3-methyl-2-phenylbutyl)morpholine-4-carboxamide has a molecular weight of 304.43 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-(3-methyl-2-phenylbutyl)morpholine-4-carboxamide is sourced from PubChem (CID 86984625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).