(2S,5R)-N-[(S)-furan-2-yl-(2-methoxyphenyl)methyl]-2,5-dimethylmorpholine-4-carboxamide

C19H24N2O4 — CID 124616685

IUPAC(2S,5R)-N-[(S)-furan-2-yl-(2-methoxyphenyl)methyl]-2,5-dimethylmorpholine-4-carboxamide
SMILESCOc1ccccc1[C@H](NC(=O)N1C[C@H](C)OC[C@H]1C)c1ccco1
InChIInChI=1S/C19H24N2O4/c1-13-12-25-14(2)11-21(13)19(22)20-18(17-9-6-10-24-17)15-7-4-5-8-16(15)23-3/h4-10,13-14,18H,11-12H2,1-3H3,(H,20,22)/t13-,14+,18+/m1/s1
InChIKeyDKXJXYBQNQGWIG-GLJUWKHASA-N
MW344.41 g/mol
LogP3.20
Rot. Bonds4

About (2S,5R)-N-[(S)-furan-2-yl-(2-methoxyphenyl)methyl]-2,5-dimethylmorpholine-4-carboxamide

(2S,5R)-N-[(S)-furan-2-yl-(2-methoxyphenyl)methyl]-2,5-dimethylmorpholine-4-carboxamide (PubChem CID 124616685) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is (2S,5R)-N-[(S)-furan-2-yl-(2-methoxyphenyl)methyl]-2,5-dimethylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2S,5R)-N-[(S)-furan-2-yl-(2-methoxyphenyl)methyl]-2,5-dimethylmorpholine-4-carboxamide
PubChem CID124616685
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name(2S,5R)-N-[(S)-furan-2-yl-(2-methoxyphenyl)methyl]-2,5-dimethylmorpholine-4-carboxamide
SMILESCOc1ccccc1[C@H](NC(=O)N1C[C@H](C)OC[C@H]1C)c1ccco1
InChIInChI=1S/C19H24N2O4/c1-13-12-25-14(2)11-21(13)19(22)20-18(17-9-6-10-24-17)15-7-4-5-8-16(15)23-3/h4-10,13-14,18H,11-12H2,1-3H3,(H,20,22)/t13-,14+,18+/m1/s1
InChIKeyDKXJXYBQNQGWIG-GLJUWKHASA-N
XLogP3.20
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-N-[(S)-furan-2-yl-(2-methoxyphenyl)methyl]-2,5-dimethylmorpholine-4-carboxamide?
The IUPAC name of (2S,5R)-N-[(S)-furan-2-yl-(2-methoxyphenyl)methyl]-2,5-dimethylmorpholine-4-carboxamide (CID 124616685) is (2S,5R)-N-[(S)-furan-2-yl-(2-methoxyphenyl)methyl]-2,5-dimethylmorpholine-4-carboxamide.
What is the SMILES notation for (2S,5R)-N-[(S)-furan-2-yl-(2-methoxyphenyl)methyl]-2,5-dimethylmorpholine-4-carboxamide?
The canonical SMILES for (2S,5R)-N-[(S)-furan-2-yl-(2-methoxyphenyl)methyl]-2,5-dimethylmorpholine-4-carboxamide is COc1ccccc1[C@H](NC(=O)N1C[C@H](C)OC[C@H]1C)c1ccco1.
What is the InChIKey of (2S,5R)-N-[(S)-furan-2-yl-(2-methoxyphenyl)methyl]-2,5-dimethylmorpholine-4-carboxamide?
The InChIKey is DKXJXYBQNQGWIG-GLJUWKHASA-N. The full InChI is InChI=1S/C19H24N2O4/c1-13-12-25-14(2)11-21(13)19(22)20-18(17-9-6-10-24-17)15-7-4-5-8-16(15)23-3/h4-10,13-14,18H,11-12H2,1-3H3,(H,20,22)/t13-,14+,18+/m1/s1.
What are the key properties of (2S,5R)-N-[(S)-furan-2-yl-(2-methoxyphenyl)methyl]-2,5-dimethylmorpholine-4-carboxamide?
(2S,5R)-N-[(S)-furan-2-yl-(2-methoxyphenyl)methyl]-2,5-dimethylmorpholine-4-carboxamide has a molecular weight of 344.41 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-N-[(S)-furan-2-yl-(2-methoxyphenyl)methyl]-2,5-dimethylmorpholine-4-carboxamide is sourced from PubChem (CID 124616685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).