(2R,3S)-2-methyl-N-(4-methyl-4-phenylpentan-2-yl)morpholine-3-carboxamide

C18H28N2O2 — CID 120928521

IUPAC(2R,3S)-2-methyl-N-(4-methyl-4-phenylpentan-2-yl)morpholine-3-carboxamide
SMILESCC(CC(C)(C)c1ccccc1)NC(=O)[C@H]1NCCO[C@@H]1C
InChIInChI=1S/C18H28N2O2/c1-13(12-18(3,4)15-8-6-5-7-9-15)20-17(21)16-14(2)22-11-10-19-16/h5-9,13-14,16,19H,10-12H2,1-4H3,(H,20,21)/t13?,14-,16+/m1/s1
InChIKeyLZOGKLFNSVRQMX-VVRWDSKXSA-N
MW304.43 g/mol
LogP2.24
Rot. Bonds5

About (2R,3S)-2-methyl-N-(4-methyl-4-phenylpentan-2-yl)morpholine-3-carboxamide

(2R,3S)-2-methyl-N-(4-methyl-4-phenylpentan-2-yl)morpholine-3-carboxamide (PubChem CID 120928521) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is (2R,3S)-2-methyl-N-(4-methyl-4-phenylpentan-2-yl)morpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-2-methyl-N-(4-methyl-4-phenylpentan-2-yl)morpholine-3-carboxamide
PubChem CID120928521
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name(2R,3S)-2-methyl-N-(4-methyl-4-phenylpentan-2-yl)morpholine-3-carboxamide
SMILESCC(CC(C)(C)c1ccccc1)NC(=O)[C@H]1NCCO[C@@H]1C
InChIInChI=1S/C18H28N2O2/c1-13(12-18(3,4)15-8-6-5-7-9-15)20-17(21)16-14(2)22-11-10-19-16/h5-9,13-14,16,19H,10-12H2,1-4H3,(H,20,21)/t13?,14-,16+/m1/s1
InChIKeyLZOGKLFNSVRQMX-VVRWDSKXSA-N
XLogP2.24
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-2-methylmorpholine-3-carboxamide
CID 130647463
(2R,3S)-N-[1-(4-bromophenyl)propan-2-yl]-2-methylmorpholine-3-carboxamide
CID 120925805
N-[(2R)-4-methyl-4-phenylpentan-2-yl]cyclopropanecarboxamide
CID 95376601
(2R,3S)-N-[1-(3,5-dimethylphenyl)propan-2-yl]-2-methylmorpholine-3-carboxamide
CID 120935470
methyl 3-[[(2R,3S)-2-methylmorpholine-3-carbonyl]amino]butanoate
CID 120920090
(2R,3S)-2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]morpholine-3-carboxamide
CID 120918965
(2R,3S)-N-benzyl-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120916874
(2R,3S)-2-methyl-N-[2-methyl-2-(2-methylphenyl)propyl]morpholine-3-carboxamide;hydrochloride
CID 120928659
(2R,3S)-2-methyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]morpholine-3-carboxamide
CID 120941925
(2R,3S)-N-benzyl-N-(2,2-dimethylpropyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120931120
(2R,3S)-N-[1-(1-benzofuran-2-yl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120919673
(2R,3S)-N-[1-(1-benzothiophen-2-yl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120931572

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-N-(4-methyl-4-phenylpentan-2-yl)morpholine-3-carboxamide?
The IUPAC name of (2R,3S)-2-methyl-N-(4-methyl-4-phenylpentan-2-yl)morpholine-3-carboxamide (CID 120928521) is (2R,3S)-2-methyl-N-(4-methyl-4-phenylpentan-2-yl)morpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-2-methyl-N-(4-methyl-4-phenylpentan-2-yl)morpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-2-methyl-N-(4-methyl-4-phenylpentan-2-yl)morpholine-3-carboxamide is CC(CC(C)(C)c1ccccc1)NC(=O)[C@H]1NCCO[C@@H]1C.
What is the InChIKey of (2R,3S)-2-methyl-N-(4-methyl-4-phenylpentan-2-yl)morpholine-3-carboxamide?
The InChIKey is LZOGKLFNSVRQMX-VVRWDSKXSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-13(12-18(3,4)15-8-6-5-7-9-15)20-17(21)16-14(2)22-11-10-19-16/h5-9,13-14,16,19H,10-12H2,1-4H3,(H,20,21)/t13?,14-,16+/m1/s1.
What are the key properties of (2R,3S)-2-methyl-N-(4-methyl-4-phenylpentan-2-yl)morpholine-3-carboxamide?
(2R,3S)-2-methyl-N-(4-methyl-4-phenylpentan-2-yl)morpholine-3-carboxamide has a molecular weight of 304.43 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methyl-N-(4-methyl-4-phenylpentan-2-yl)morpholine-3-carboxamide is sourced from PubChem (CID 120928521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).