(2R)-N-(3-acetamido-4-methylphenyl)-2-methylmorpholine-4-carboxamide

C15H21N3O3 — CID 94183755

IUPAC(2R)-N-(3-acetamido-4-methylphenyl)-2-methylmorpholine-4-carboxamide
SMILESCC(=O)Nc1cc(NC(=O)N2CCO[C@H](C)C2)ccc1C
InChIInChI=1S/C15H21N3O3/c1-10-4-5-13(8-14(10)16-12(3)19)17-15(20)18-6-7-21-11(2)9-18/h4-5,8,11H,6-7,9H2,1-3H3,(H,16,19)(H,17,20)/t11-/m1/s1
InChIKeyDEUAVYVYLMPJSJ-LLVKDONJSA-N
MW291.35 g/mol
LogP2.21
Rot. Bonds2

About (2R)-N-(3-acetamido-4-methylphenyl)-2-methylmorpholine-4-carboxamide

(2R)-N-(3-acetamido-4-methylphenyl)-2-methylmorpholine-4-carboxamide (PubChem CID 94183755) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is (2R)-N-(3-acetamido-4-methylphenyl)-2-methylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2R)-N-(3-acetamido-4-methylphenyl)-2-methylmorpholine-4-carboxamide
PubChem CID94183755
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name(2R)-N-(3-acetamido-4-methylphenyl)-2-methylmorpholine-4-carboxamide
SMILESCC(=O)Nc1cc(NC(=O)N2CCO[C@H](C)C2)ccc1C
InChIInChI=1S/C15H21N3O3/c1-10-4-5-13(8-14(10)16-12(3)19)17-15(20)18-6-7-21-11(2)9-18/h4-5,8,11H,6-7,9H2,1-3H3,(H,16,19)(H,17,20)/t11-/m1/s1
InChIKeyDEUAVYVYLMPJSJ-LLVKDONJSA-N
XLogP2.21
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(5-acetamido-2-methylphenyl)-2-methylmorpholine-4-carboxamide
CID 94176614
N-(5-acetamido-2-methylphenyl)morpholine-4-carboxamide
CID 47041767
(3S,5R)-N-[3-[[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]amino]-4-methylphenyl]-3,5-dimethylpiperidine-1-carboxamide
CID 27806673
2-chloro-4-[(2-methylmorpholine-4-carbonyl)amino]benzoic acid
CID 61398640
2-methyl-N-(4-methylsulfonylphenyl)morpholine-4-carboxamide
CID 47198060
N-(3,4-dimethylphenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 4570981
4-hydroxy-N-[3-[(4-hydroxypiperidine-1-carbonyl)amino]-4-methylphenyl]piperidine-1-carboxamide
CID 41296153
(2S)-N-[6-(dimethylamino)-3-pyridinyl]-2-methylmorpholine-4-carboxamide
CID 94165295
N-(2,5-dimethylphenyl)-2-(2-methylmorpholin-4-yl)acetamide
CID 51291532
(2R)-2-methyl-N-[4-(propylsulfonylamino)phenyl]morpholine-4-carboxamide
CID 95772641
ethyl (E)-3-[4-[[(2R)-2-methylmorpholine-4-carbonyl]amino]phenyl]prop-2-enoate
CID 94163940
N-(5-acetamido-2-methylphenyl)-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide
CID 55742297

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-acetamido-4-methylphenyl)-2-methylmorpholine-4-carboxamide?
The IUPAC name of (2R)-N-(3-acetamido-4-methylphenyl)-2-methylmorpholine-4-carboxamide (CID 94183755) is (2R)-N-(3-acetamido-4-methylphenyl)-2-methylmorpholine-4-carboxamide.
What is the SMILES notation for (2R)-N-(3-acetamido-4-methylphenyl)-2-methylmorpholine-4-carboxamide?
The canonical SMILES for (2R)-N-(3-acetamido-4-methylphenyl)-2-methylmorpholine-4-carboxamide is CC(=O)Nc1cc(NC(=O)N2CCO[C@H](C)C2)ccc1C.
What is the InChIKey of (2R)-N-(3-acetamido-4-methylphenyl)-2-methylmorpholine-4-carboxamide?
The InChIKey is DEUAVYVYLMPJSJ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10-4-5-13(8-14(10)16-12(3)19)17-15(20)18-6-7-21-11(2)9-18/h4-5,8,11H,6-7,9H2,1-3H3,(H,16,19)(H,17,20)/t11-/m1/s1.
What are the key properties of (2R)-N-(3-acetamido-4-methylphenyl)-2-methylmorpholine-4-carboxamide?
(2R)-N-(3-acetamido-4-methylphenyl)-2-methylmorpholine-4-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-acetamido-4-methylphenyl)-2-methylmorpholine-4-carboxamide is sourced from PubChem (CID 94183755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).