(2R,3S)-N-[1-(3,5-dimethylphenyl)propan-2-yl]-2-methylmorpholine-3-carboxamide

C17H26N2O2 — CID 120935470

IUPAC(2R,3S)-N-[1-(3,5-dimethylphenyl)propan-2-yl]-2-methylmorpholine-3-carboxamide
SMILESCc1cc(C)cc(CC(C)NC(=O)[C@H]2NCCO[C@@H]2C)c1
InChIInChI=1S/C17H26N2O2/c1-11-7-12(2)9-15(8-11)10-13(3)19-17(20)16-14(4)21-6-5-18-16/h7-9,13-14,16,18H,5-6,10H2,1-4H3,(H,19,20)/t13?,14-,16+/m1/s1
InChIKeyKCMQXCQCCNPRTB-VVRWDSKXSA-N
MW290.41 g/mol
LogP1.73
Rot. Bonds4

About (2R,3S)-N-[1-(3,5-dimethylphenyl)propan-2-yl]-2-methylmorpholine-3-carboxamide

(2R,3S)-N-[1-(3,5-dimethylphenyl)propan-2-yl]-2-methylmorpholine-3-carboxamide (PubChem CID 120935470) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (2R,3S)-N-[1-(3,5-dimethylphenyl)propan-2-yl]-2-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-[1-(3,5-dimethylphenyl)propan-2-yl]-2-methylmorpholine-3-carboxamide
PubChem CID120935470
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(2R,3S)-N-[1-(3,5-dimethylphenyl)propan-2-yl]-2-methylmorpholine-3-carboxamide
SMILESCc1cc(C)cc(CC(C)NC(=O)[C@H]2NCCO[C@@H]2C)c1
InChIInChI=1S/C17H26N2O2/c1-11-7-12(2)9-15(8-11)10-13(3)19-17(20)16-14(4)21-6-5-18-16/h7-9,13-14,16,18H,5-6,10H2,1-4H3,(H,19,20)/t13?,14-,16+/m1/s1
InChIKeyKCMQXCQCCNPRTB-VVRWDSKXSA-N
XLogP1.73
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-N-[1-(4-bromophenyl)propan-2-yl]-2-methylmorpholine-3-carboxamide
CID 120925805
N-butan-2-yl-2-methylmorpholine-3-carboxamide
CID 130647463
N-[1-(3,5-dimethylphenyl)propan-2-yl]morpholine-2-carboxamide;hydrochloride
CID 119806702
(2S)-N-[(2R)-1-(3,5-dimethylphenyl)propan-2-yl]pyrrolidine-2-carboxamide
CID 96510056
methyl 3-[[(2R,3S)-2-methylmorpholine-3-carbonyl]amino]butanoate
CID 120920090
(2R,3S)-2-methyl-N-(4-methyl-4-phenylpentan-2-yl)morpholine-3-carboxamide
CID 120928521
(2R,3S)-2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]morpholine-3-carboxamide
CID 120918965
(2R,3S)-2-methyl-N-[2-(3-methylphenyl)ethyl]morpholine-3-carboxamide;hydrochloride
CID 120927296
(2R,3S)-N-[2-(3,5-dimethylphenoxy)ethyl]-2-methylmorpholine-3-carboxamide
CID 120927464
(2R,3S)-N-(1-imidazol-1-ylpropan-2-yl)-2-methylmorpholine-3-carboxamide
CID 120939612
(2R,3S)-2-methyl-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]morpholine-3-carboxamide
CID 120933426
(2R,3S)-N-(3-cyclohexylbutan-2-yl)-2-methylmorpholine-3-carboxamide
CID 120935794

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[1-(3,5-dimethylphenyl)propan-2-yl]-2-methylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-N-[1-(3,5-dimethylphenyl)propan-2-yl]-2-methylmorpholine-3-carboxamide (CID 120935470) is (2R,3S)-N-[1-(3,5-dimethylphenyl)propan-2-yl]-2-methylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-[1-(3,5-dimethylphenyl)propan-2-yl]-2-methylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-N-[1-(3,5-dimethylphenyl)propan-2-yl]-2-methylmorpholine-3-carboxamide is Cc1cc(C)cc(CC(C)NC(=O)[C@H]2NCCO[C@@H]2C)c1.
What is the InChIKey of (2R,3S)-N-[1-(3,5-dimethylphenyl)propan-2-yl]-2-methylmorpholine-3-carboxamide?
The InChIKey is KCMQXCQCCNPRTB-VVRWDSKXSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-11-7-12(2)9-15(8-11)10-13(3)19-17(20)16-14(4)21-6-5-18-16/h7-9,13-14,16,18H,5-6,10H2,1-4H3,(H,19,20)/t13?,14-,16+/m1/s1.
What are the key properties of (2R,3S)-N-[1-(3,5-dimethylphenyl)propan-2-yl]-2-methylmorpholine-3-carboxamide?
(2R,3S)-N-[1-(3,5-dimethylphenyl)propan-2-yl]-2-methylmorpholine-3-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[1-(3,5-dimethylphenyl)propan-2-yl]-2-methylmorpholine-3-carboxamide is sourced from PubChem (CID 120935470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).