(2R,3S)-2-methyl-N-[3-[methyl(propan-2-yl)amino]phenyl]morpholine-3-carboxamide

C16H25N3O2 — CID 120941563

IUPAC(2R,3S)-2-methyl-N-[3-[methyl(propan-2-yl)amino]phenyl]morpholine-3-carboxamide
SMILESCC(C)N(C)c1cccc(NC(=O)[C@H]2NCCO[C@@H]2C)c1
InChIInChI=1S/C16H25N3O2/c1-11(2)19(4)14-7-5-6-13(10-14)18-16(20)15-12(3)21-9-8-17-15/h5-7,10-12,15,17H,8-9H2,1-4H3,(H,18,20)/t12-,15+/m1/s1
InChIKeyTXOYGWMGRBWAAI-DOMZBBRYSA-N
MW291.39 g/mol
LogP1.85
Rot. Bonds4

About (2R,3S)-2-methyl-N-[3-[methyl(propan-2-yl)amino]phenyl]morpholine-3-carboxamide

(2R,3S)-2-methyl-N-[3-[methyl(propan-2-yl)amino]phenyl]morpholine-3-carboxamide (PubChem CID 120941563) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is (2R,3S)-2-methyl-N-[3-[methyl(propan-2-yl)amino]phenyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-2-methyl-N-[3-[methyl(propan-2-yl)amino]phenyl]morpholine-3-carboxamide
PubChem CID120941563
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name(2R,3S)-2-methyl-N-[3-[methyl(propan-2-yl)amino]phenyl]morpholine-3-carboxamide
SMILESCC(C)N(C)c1cccc(NC(=O)[C@H]2NCCO[C@@H]2C)c1
InChIInChI=1S/C16H25N3O2/c1-11(2)19(4)14-7-5-6-13(10-14)18-16(20)15-12(3)21-9-8-17-15/h5-7,10-12,15,17H,8-9H2,1-4H3,(H,18,20)/t12-,15+/m1/s1
InChIKeyTXOYGWMGRBWAAI-DOMZBBRYSA-N
XLogP1.85
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-N-[3-[acetyl(methyl)amino]phenyl]-2-methylmorpholine-3-carboxamide
CID 120934367
(2R,3S)-N-[3-(1-methoxyethyl)phenyl]-2-methylmorpholine-3-carboxamide
CID 120930391
(2R,3S)-2-methyl-N-[3-(methylsulfonylmethyl)phenyl]morpholine-3-carboxamide
CID 120928654
(2R,3S)-2-methyl-N-(3-nitrophenyl)morpholine-3-carboxamide
CID 120917022
(2R,3S)-2-methyl-N-[3-(trifluoromethyl)phenyl]morpholine-3-carboxamide;hydrochloride
CID 120917101
(2R,3S)-2-methyl-N-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]morpholine-3-carboxamide
CID 120931980
(2R,3S)-N-[3-(1,3-dithiolan-2-yl)phenyl]-2-methylmorpholine-3-carboxamide
CID 120919732
(2R,3S)-2-methyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]morpholine-3-carboxamide
CID 120921411
(2R)-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-2-carboxamide;dihydrochloride
CID 119883129
(2R,3S)-N-(4-acetamidophenyl)-2-methylmorpholine-3-carboxamide
CID 120916743
(2R,3S)-2-methyl-N-[3-(trifluoromethoxy)phenyl]morpholine-3-carboxamide;hydrochloride
CID 120921232
(2R,3S)-N-[3-[2-(diethylamino)ethylcarbamoyl]phenyl]-2-methylmorpholine-3-carboxamide
CID 120939024

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-N-[3-[methyl(propan-2-yl)amino]phenyl]morpholine-3-carboxamide?
The IUPAC name of (2R,3S)-2-methyl-N-[3-[methyl(propan-2-yl)amino]phenyl]morpholine-3-carboxamide (CID 120941563) is (2R,3S)-2-methyl-N-[3-[methyl(propan-2-yl)amino]phenyl]morpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-2-methyl-N-[3-[methyl(propan-2-yl)amino]phenyl]morpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-2-methyl-N-[3-[methyl(propan-2-yl)amino]phenyl]morpholine-3-carboxamide is CC(C)N(C)c1cccc(NC(=O)[C@H]2NCCO[C@@H]2C)c1.
What is the InChIKey of (2R,3S)-2-methyl-N-[3-[methyl(propan-2-yl)amino]phenyl]morpholine-3-carboxamide?
The InChIKey is TXOYGWMGRBWAAI-DOMZBBRYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-11(2)19(4)14-7-5-6-13(10-14)18-16(20)15-12(3)21-9-8-17-15/h5-7,10-12,15,17H,8-9H2,1-4H3,(H,18,20)/t12-,15+/m1/s1.
What are the key properties of (2R,3S)-2-methyl-N-[3-[methyl(propan-2-yl)amino]phenyl]morpholine-3-carboxamide?
(2R,3S)-2-methyl-N-[3-[methyl(propan-2-yl)amino]phenyl]morpholine-3-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methyl-N-[3-[methyl(propan-2-yl)amino]phenyl]morpholine-3-carboxamide is sourced from PubChem (CID 120941563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).