(2R,3S)-N-[3-[acetyl(methyl)amino]phenyl]-2-methylmorpholine-3-carboxamide

C15H21N3O3 — CID 120934367

IUPAC(2R,3S)-N-[3-[acetyl(methyl)amino]phenyl]-2-methylmorpholine-3-carboxamide
SMILESCC(=O)N(C)c1cccc(NC(=O)[C@H]2NCCO[C@@H]2C)c1
InChIInChI=1S/C15H21N3O3/c1-10-14(16-7-8-21-10)15(20)17-12-5-4-6-13(9-12)18(3)11(2)19/h4-6,9-10,14,16H,7-8H2,1-3H3,(H,17,20)/t10-,14+/m1/s1
InChIKeyHEKLPMJLGLXKRB-YGRLFVJLSA-N
MW291.35 g/mol
LogP0.98
Rot. Bonds3

About (2R,3S)-N-[3-[acetyl(methyl)amino]phenyl]-2-methylmorpholine-3-carboxamide

(2R,3S)-N-[3-[acetyl(methyl)amino]phenyl]-2-methylmorpholine-3-carboxamide (PubChem CID 120934367) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is (2R,3S)-N-[3-[acetyl(methyl)amino]phenyl]-2-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-[3-[acetyl(methyl)amino]phenyl]-2-methylmorpholine-3-carboxamide
PubChem CID120934367
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name(2R,3S)-N-[3-[acetyl(methyl)amino]phenyl]-2-methylmorpholine-3-carboxamide
SMILESCC(=O)N(C)c1cccc(NC(=O)[C@H]2NCCO[C@@H]2C)c1
InChIInChI=1S/C15H21N3O3/c1-10-14(16-7-8-21-10)15(20)17-12-5-4-6-13(9-12)18(3)11(2)19/h4-6,9-10,14,16H,7-8H2,1-3H3,(H,17,20)/t10-,14+/m1/s1
InChIKeyHEKLPMJLGLXKRB-YGRLFVJLSA-N
XLogP0.98
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-2-methyl-N-[3-[methyl(propan-2-yl)amino]phenyl]morpholine-3-carboxamide
CID 120941563
(2R,3S)-N-[3-(1-methoxyethyl)phenyl]-2-methylmorpholine-3-carboxamide
CID 120930391
(2R,3S)-N-(4-acetamidophenyl)-2-methylmorpholine-3-carboxamide
CID 120916743
(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)-N-[3-(1,3-dithiolan-2-yl)phenyl]-2-methylmorpholine-3-carboxamide
CID 120919732
(2R,3S)-2-methyl-N-[3-(methylsulfonylmethyl)phenyl]morpholine-3-carboxamide
CID 120928654
(2R,3S)-2-methyl-N-[3-(trifluoromethoxy)phenyl]morpholine-3-carboxamide;hydrochloride
CID 120921232
(2R,3S)-2-methyl-N-pyridin-3-ylmorpholine-3-carboxamide
CID 120937694
(2R,3S)-2-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]morpholine-3-carboxamide
CID 120924428
(2R,3S)-N-[3-(4-carbamoylpiperidin-1-yl)phenyl]-2-methylmorpholine-3-carboxamide
CID 120942257
(2R,3S)-N-[5-(dimethylamino)-2-pyridinyl]-2-methylmorpholine-3-carboxamide
CID 120940037

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[3-[acetyl(methyl)amino]phenyl]-2-methylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-N-[3-[acetyl(methyl)amino]phenyl]-2-methylmorpholine-3-carboxamide (CID 120934367) is (2R,3S)-N-[3-[acetyl(methyl)amino]phenyl]-2-methylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-[3-[acetyl(methyl)amino]phenyl]-2-methylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-N-[3-[acetyl(methyl)amino]phenyl]-2-methylmorpholine-3-carboxamide is CC(=O)N(C)c1cccc(NC(=O)[C@H]2NCCO[C@@H]2C)c1.
What is the InChIKey of (2R,3S)-N-[3-[acetyl(methyl)amino]phenyl]-2-methylmorpholine-3-carboxamide?
The InChIKey is HEKLPMJLGLXKRB-YGRLFVJLSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10-14(16-7-8-21-10)15(20)17-12-5-4-6-13(9-12)18(3)11(2)19/h4-6,9-10,14,16H,7-8H2,1-3H3,(H,17,20)/t10-,14+/m1/s1.
What are the key properties of (2R,3S)-N-[3-[acetyl(methyl)amino]phenyl]-2-methylmorpholine-3-carboxamide?
(2R,3S)-N-[3-[acetyl(methyl)amino]phenyl]-2-methylmorpholine-3-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[3-[acetyl(methyl)amino]phenyl]-2-methylmorpholine-3-carboxamide is sourced from PubChem (CID 120934367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).