methyl 2-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]anilino]acetate

C16H22N2O4 — CID 94631757

IUPACmethyl 2-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]anilino]acetate
SMILESCOC(=O)CNc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1
InChIInChI=1S/C16H22N2O4/c1-11-9-18(10-12(2)22-11)16(20)13-4-6-14(7-5-13)17-8-15(19)21-3/h4-7,11-12,17H,8-10H2,1-3H3/t11-,12+
InChIKeyVSDLQWBUPDGKNJ-TXEJJXNPSA-N
MW306.36 g/mol
LogP1.52
Rot. Bonds4

About methyl 2-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]anilino]acetate

methyl 2-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]anilino]acetate (PubChem CID 94631757) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is methyl 2-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]anilino]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]anilino]acetate
PubChem CID94631757
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Namemethyl 2-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]anilino]acetate
SMILESCOC(=O)CNc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1
InChIInChI=1S/C16H22N2O4/c1-11-9-18(10-12(2)22-11)16(20)13-4-6-14(7-5-13)17-8-15(19)21-3/h4-7,11-12,17H,8-10H2,1-3H3/t11-,12+
InChIKeyVSDLQWBUPDGKNJ-TXEJJXNPSA-N
XLogP1.52
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2,6-dimethylmorpholin-4-yl)-[4-(ethylamino)phenyl]methanone
CID 62170652
(2,6-dimethylmorpholin-4-yl)-[4-(propylamino)phenyl]methanone
CID 62170653
1-(azocan-1-yl)-2-[4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]anilino]ethanone
CID 94631749
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918
4-[[4-(2,6-dimethylmorpholine-4-carbonyl)anilino]methyl]benzoic acid
CID 122033835
methyl 2-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylanilino]acetate
CID 129488504
2-(cyclopropylmethylamino)-N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]acetamide
CID 119744229
N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-2-(2-methoxyethylamino)acetamide
CID 119744249
N-(2-bromophenyl)-2-[4-(2,6-dimethylmorpholine-4-carbonyl)anilino]acetamide
CID 60538677
N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 119744220
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]urea
CID 42915501
2-(cyclopropylmethylamino)-N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]acetamide;hydrochloride
CID 119744228

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]anilino]acetate?
The IUPAC name of methyl 2-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]anilino]acetate (CID 94631757) is methyl 2-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]anilino]acetate.
What is the SMILES notation for methyl 2-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]anilino]acetate?
The canonical SMILES for methyl 2-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]anilino]acetate is COC(=O)CNc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1.
What is the InChIKey of methyl 2-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]anilino]acetate?
The InChIKey is VSDLQWBUPDGKNJ-TXEJJXNPSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-11-9-18(10-12(2)22-11)16(20)13-4-6-14(7-5-13)17-8-15(19)21-3/h4-7,11-12,17H,8-10H2,1-3H3/t11-,12+.
What are the key properties of methyl 2-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]anilino]acetate?
methyl 2-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]anilino]acetate has a molecular weight of 306.36 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]anilino]acetate is sourced from PubChem (CID 94631757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).