(2S)-N-[(1R)-1-(4-cyanophenyl)ethyl]-2-ethyl-2-methylmorpholine-4-carboxamide

C17H23N3O2 — CID 99857608

IUPAC(2S)-N-[(1R)-1-(4-cyanophenyl)ethyl]-2-ethyl-2-methylmorpholine-4-carboxamide
SMILESCC[C@@]1(C)CN(C(=O)N[C@H](C)c2ccc(C#N)cc2)CCO1
InChIInChI=1S/C17H23N3O2/c1-4-17(3)12-20(9-10-22-17)16(21)19-13(2)15-7-5-14(11-18)6-8-15/h5-8,13H,4,9-10,12H2,1-3H3,(H,19,21)/t13-,17+/m1/s1
InChIKeyAAPYRPCKEWXLNQ-DYVFJYSZSA-N
MW301.39 g/mol
LogP2.83
Rot. Bonds3

About (2S)-N-[(1R)-1-(4-cyanophenyl)ethyl]-2-ethyl-2-methylmorpholine-4-carboxamide

(2S)-N-[(1R)-1-(4-cyanophenyl)ethyl]-2-ethyl-2-methylmorpholine-4-carboxamide (PubChem CID 99857608) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is (2S)-N-[(1R)-1-(4-cyanophenyl)ethyl]-2-ethyl-2-methylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(1R)-1-(4-cyanophenyl)ethyl]-2-ethyl-2-methylmorpholine-4-carboxamide
PubChem CID99857608
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name(2S)-N-[(1R)-1-(4-cyanophenyl)ethyl]-2-ethyl-2-methylmorpholine-4-carboxamide
SMILESCC[C@@]1(C)CN(C(=O)N[C@H](C)c2ccc(C#N)cc2)CCO1
InChIInChI=1S/C17H23N3O2/c1-4-17(3)12-20(9-10-22-17)16(21)19-13(2)15-7-5-14(11-18)6-8-15/h5-8,13H,4,9-10,12H2,1-3H3,(H,19,21)/t13-,17+/m1/s1
InChIKeyAAPYRPCKEWXLNQ-DYVFJYSZSA-N
XLogP2.83
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-ethyl-2-methyl-N-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]morpholine-4-carboxamide
CID 99789877
(2S)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-ethyl-2-methylmorpholine-4-carboxamide
CID 99830093
N-[1-(4-cyanophenyl)ethyl]-3-hydroxypiperidine-1-carboxamide
CID 110896566
(2S)-2-ethyl-2-methyl-N-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]morpholine-4-carboxamide
CID 99857632
(2R)-2-ethyl-N-[(1S)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]-2-methylmorpholine-4-carboxamide
CID 99831196
1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(1S)-1-(4-cyanophenyl)ethyl]urea
CID 94023184
(2R)-2-ethyl-2-methyl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]morpholine-4-carboxamide
CID 99857623
(2S)-2-ethyl-2-methyl-N-[(4-nitrophenyl)methyl]morpholine-4-carboxamide
CID 99857598
(2S)-N-[(1S)-1-cyclopropyl-2-methoxyethyl]-2-ethyl-2-methylmorpholine-4-carboxamide
CID 99825232
2-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-N-[(1R)-1-(4-cyanophenyl)ethyl]spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]-1'-carboxamide
CID 164859853
N-[1-(4-cyanophenyl)ethyl]-2-methylpiperidine-1-carboxamide
CID 47254048
N-[1-(4-cyanophenyl)ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 55809497

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1R)-1-(4-cyanophenyl)ethyl]-2-ethyl-2-methylmorpholine-4-carboxamide?
The IUPAC name of (2S)-N-[(1R)-1-(4-cyanophenyl)ethyl]-2-ethyl-2-methylmorpholine-4-carboxamide (CID 99857608) is (2S)-N-[(1R)-1-(4-cyanophenyl)ethyl]-2-ethyl-2-methylmorpholine-4-carboxamide.
What is the SMILES notation for (2S)-N-[(1R)-1-(4-cyanophenyl)ethyl]-2-ethyl-2-methylmorpholine-4-carboxamide?
The canonical SMILES for (2S)-N-[(1R)-1-(4-cyanophenyl)ethyl]-2-ethyl-2-methylmorpholine-4-carboxamide is CC[C@@]1(C)CN(C(=O)N[C@H](C)c2ccc(C#N)cc2)CCO1.
What is the InChIKey of (2S)-N-[(1R)-1-(4-cyanophenyl)ethyl]-2-ethyl-2-methylmorpholine-4-carboxamide?
The InChIKey is AAPYRPCKEWXLNQ-DYVFJYSZSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-4-17(3)12-20(9-10-22-17)16(21)19-13(2)15-7-5-14(11-18)6-8-15/h5-8,13H,4,9-10,12H2,1-3H3,(H,19,21)/t13-,17+/m1/s1.
What are the key properties of (2S)-N-[(1R)-1-(4-cyanophenyl)ethyl]-2-ethyl-2-methylmorpholine-4-carboxamide?
(2S)-N-[(1R)-1-(4-cyanophenyl)ethyl]-2-ethyl-2-methylmorpholine-4-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1R)-1-(4-cyanophenyl)ethyl]-2-ethyl-2-methylmorpholine-4-carboxamide is sourced from PubChem (CID 99857608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).