ethyl 4-[[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]benzoate

C16H22N2O4 — CID 971488

IUPACethyl 4-[[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)N2C[C@H](C)O[C@@H](C)C2)cc1
InChIInChI=1S/C16H22N2O4/c1-4-21-15(19)13-5-7-14(8-6-13)17-16(20)18-9-11(2)22-12(3)10-18/h5-8,11-12H,4,9-10H2,1-3H3,(H,17,20)/t11-,12-/m0/s1
InChIKeyKVXPPXDWVITJJU-RYUDHWBXSA-N
MW306.36 g/mol
LogP2.50
Rot. Bonds3

About ethyl 4-[[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]benzoate

ethyl 4-[[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]benzoate (PubChem CID 971488) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is ethyl 4-[[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]benzoate
PubChem CID971488
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Nameethyl 4-[[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)N2C[C@H](C)O[C@@H](C)C2)cc1
InChIInChI=1S/C16H22N2O4/c1-4-21-15(19)13-5-7-14(8-6-13)17-16(20)18-9-11(2)22-12(3)10-18/h5-8,11-12H,4,9-10H2,1-3H3,(H,17,20)/t11-,12-/m0/s1
InChIKeyKVXPPXDWVITJJU-RYUDHWBXSA-N
XLogP2.50
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 4-[[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]benzoate with MolForge

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Related Compounds

butyl 4-[(2,6-dimethylmorpholine-4-carbonyl)amino]benzoate
CID 47039962
(2R,6S)-N-[4-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]phenyl]-2,6-dimethylmorpholine-4-carboxamide
CID 51983955
(2S,6S)-N-[4-[[(2S)-butan-2-yl]carbamoyl]phenyl]-2,6-dimethylmorpholine-4-carboxamide
CID 100847173
(2S,6R)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
CID 42545481
(2S,6S)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
CID 41097584
(2S,6S)-2,6-dimethyl-N-[4-(trifluoromethoxy)phenyl]morpholine-4-carboxamide
CID 51427241
N-(3,4-dimethylphenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 4570981
(2R,6R)-2,6-dimethyl-N-(4-propan-2-yloxyphenyl)morpholine-4-carboxamide
CID 94187636
ethyl 4-[(4-pentylpiperazine-1-carbonyl)amino]benzoate
CID 17185017
tert-butyl 4-[(4-ethoxycarbonylphenyl)carbamoyl]piperazine-1-carboxylate
CID 46743132
4-[4-[4-[(2,6-dimethylmorpholine-4-carbonyl)amino]phenyl]phenyl]-2,2-dimethyl-4-oxobutanoic acid
CID 70987635
ethyl 5-[(2,6-dimethylmorpholine-4-carbonyl)amino]-2,6-dimethylpyridine-3-carboxylate
CID 4788349

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]benzoate?
The IUPAC name of ethyl 4-[[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]benzoate (CID 971488) is ethyl 4-[[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)N2C[C@H](C)O[C@@H](C)C2)cc1.
What is the InChIKey of ethyl 4-[[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]benzoate?
The InChIKey is KVXPPXDWVITJJU-RYUDHWBXSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-4-21-15(19)13-5-7-14(8-6-13)17-16(20)18-9-11(2)22-12(3)10-18/h5-8,11-12H,4,9-10H2,1-3H3,(H,17,20)/t11-,12-/m0/s1.
What are the key properties of ethyl 4-[[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]benzoate?
ethyl 4-[[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]benzoate has a molecular weight of 306.36 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]benzoate is sourced from PubChem (CID 971488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).