(2S)-N-(5-acetamido-2-methylphenyl)-2-methylmorpholine-4-carboxamide

C15H21N3O3 — CID 94176614

IUPAC(2S)-N-(5-acetamido-2-methylphenyl)-2-methylmorpholine-4-carboxamide
SMILESCC(=O)Nc1ccc(C)c(NC(=O)N2CCO[C@@H](C)C2)c1
InChIInChI=1S/C15H21N3O3/c1-10-4-5-13(16-12(3)19)8-14(10)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-/m0/s1
InChIKeyDSYFEQNIVLDUMV-NSHDSACASA-N
MW291.35 g/mol
LogP2.21
Rot. Bonds2

About (2S)-N-(5-acetamido-2-methylphenyl)-2-methylmorpholine-4-carboxamide

(2S)-N-(5-acetamido-2-methylphenyl)-2-methylmorpholine-4-carboxamide (PubChem CID 94176614) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is (2S)-N-(5-acetamido-2-methylphenyl)-2-methylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-N-(5-acetamido-2-methylphenyl)-2-methylmorpholine-4-carboxamide
PubChem CID94176614
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name(2S)-N-(5-acetamido-2-methylphenyl)-2-methylmorpholine-4-carboxamide
SMILESCC(=O)Nc1ccc(C)c(NC(=O)N2CCO[C@@H](C)C2)c1
InChIInChI=1S/C15H21N3O3/c1-10-4-5-13(16-12(3)19)8-14(10)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-/m0/s1
InChIKeyDSYFEQNIVLDUMV-NSHDSACASA-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

(2R)-N-(3-acetamido-4-methylphenyl)-2-methylmorpholine-4-carboxamide
CID 94183755
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
N-(5-acetamido-2-methylphenyl)-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide
CID 55742297
4-hydroxy-N-[3-[(4-hydroxypiperidine-1-carbonyl)amino]-4-methylphenyl]piperidine-1-carboxamide
CID 41296153
2-methyl-N-(4-methylsulfonylphenyl)morpholine-4-carboxamide
CID 47198060
N-(5-acetamido-2-methylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86994575
N-(2,5-dimethylphenyl)-2-(2-methylmorpholin-4-yl)acetamide
CID 51291532
3-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]-4-methylbenzoic acid
CID 81197872
N-[4-[2-(2-methylmorpholin-4-yl)-2-oxoethoxy]phenyl]acetamide
CID 51293775
N-(2-ethoxy-4-methylphenyl)-2-methylmorpholine-4-carboxamide
CID 47262001

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-acetamido-2-methylphenyl)-2-methylmorpholine-4-carboxamide?
The IUPAC name of (2S)-N-(5-acetamido-2-methylphenyl)-2-methylmorpholine-4-carboxamide (CID 94176614) is (2S)-N-(5-acetamido-2-methylphenyl)-2-methylmorpholine-4-carboxamide.
What is the SMILES notation for (2S)-N-(5-acetamido-2-methylphenyl)-2-methylmorpholine-4-carboxamide?
The canonical SMILES for (2S)-N-(5-acetamido-2-methylphenyl)-2-methylmorpholine-4-carboxamide is CC(=O)Nc1ccc(C)c(NC(=O)N2CCO[C@@H](C)C2)c1.
What is the InChIKey of (2S)-N-(5-acetamido-2-methylphenyl)-2-methylmorpholine-4-carboxamide?
The InChIKey is DSYFEQNIVLDUMV-NSHDSACASA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10-4-5-13(16-12(3)19)8-14(10)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-/m0/s1.
What are the key properties of (2S)-N-(5-acetamido-2-methylphenyl)-2-methylmorpholine-4-carboxamide?
(2S)-N-(5-acetamido-2-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 (2S)-N-(5-acetamido-2-methylphenyl)-2-methylmorpholine-4-carboxamide is sourced from PubChem (CID 94176614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).