(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-methylbutanamide

C20H31N3O4 — CID 52511121

IUPAC(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-methylbutanamide
SMILESCOCC(=O)Nc1ccc(NC(=O)[C@H](C(C)C)N2C[C@@H](C)O[C@H](C)C2)cc1
InChIInChI=1S/C20H31N3O4/c1-13(2)19(23-10-14(3)27-15(4)11-23)20(25)22-17-8-6-16(7-9-17)21-18(24)12-26-5/h6-9,13-15,19H,10-12H2,1-5H3,(H,21,24)(H,22,25)/t14-,15-,19+/m1/s1
InChIKeyJNHAMSUQFVTHTO-CLCXKQKWSA-N
MW377.49 g/mol
LogP2.34
Rot. Bonds7

About (2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-methylbutanamide

(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-methylbutanamide (PubChem CID 52511121) has the molecular formula C20H31N3O4 and a molecular weight of 377.49 g/mol. Its IUPAC name is (2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-methylbutanamide
PubChem CID52511121
Molecular FormulaC20H31N3O4
Molecular Weight377.49 g/mol
Exact Mass377.23
IUPAC Name(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-methylbutanamide
SMILESCOCC(=O)Nc1ccc(NC(=O)[C@H](C(C)C)N2C[C@@H](C)O[C@H](C)C2)cc1
InChIInChI=1S/C20H31N3O4/c1-13(2)19(23-10-14(3)27-15(4)11-23)20(25)22-17-8-6-16(7-9-17)21-18(24)12-26-5/h6-9,13-15,19H,10-12H2,1-5H3,(H,21,24)(H,22,25)/t14-,15-,19+/m1/s1
InChIKeyJNHAMSUQFVTHTO-CLCXKQKWSA-N
XLogP2.34
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-methylbutanamide with MolForge

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Related Compounds

(2R)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide
CID 94822347
(2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide
CID 94822348
N-(4-acetamidophenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 47005800
2-bromo-N-[4-[(2-methoxyacetyl)amino]phenyl]propanamide
CID 114014349
N-[4-[(2-methoxyacetyl)amino]phenyl]-2-methylbutanamide
CID 42948482
2-(2,6-dimethylmorpholin-4-yl)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-methylbutanamide
CID 56508671
(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutanamide
CID 94800842
(2S)-N-(4-cyanophenyl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propanamide
CID 2653628
2-(2,6-dimethylmorpholin-4-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbutanamide
CID 110001912
(2S)-2-amino-N-[4-[(2-methoxyacetyl)amino]phenyl]pentanamide
CID 107568581
3-[[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methylbutanoyl]amino]propanoic acid
CID 125151081
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(4-methoxyphenyl)acetamide
CID 2378377

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-methylbutanamide?
The IUPAC name of (2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-methylbutanamide (CID 52511121) is (2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-methylbutanamide is COCC(=O)Nc1ccc(NC(=O)[C@H](C(C)C)N2C[C@@H](C)O[C@H](C)C2)cc1.
What is the InChIKey of (2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-methylbutanamide?
The InChIKey is JNHAMSUQFVTHTO-CLCXKQKWSA-N. The full InChI is InChI=1S/C20H31N3O4/c1-13(2)19(23-10-14(3)27-15(4)11-23)20(25)22-17-8-6-16(7-9-17)21-18(24)12-26-5/h6-9,13-15,19H,10-12H2,1-5H3,(H,21,24)(H,22,25)/t14-,15-,19+/m1/s1.
What are the key properties of (2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-methylbutanamide?
(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-methylbutanamide has a molecular weight of 377.49 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-methylbutanamide is sourced from PubChem (CID 52511121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).