(3S)-3-(5-ethylfuran-2-yl)-N-[(2S)-4-methoxy-4-methylpentan-2-yl]morpholine-4-carboxamide

C18H30N2O4 — CID 96519217

IUPAC(3S)-3-(5-ethylfuran-2-yl)-N-[(2S)-4-methoxy-4-methylpentan-2-yl]morpholine-4-carboxamide
SMILESCCc1ccc([C@@H]2COCCN2C(=O)N[C@@H](C)CC(C)(C)OC)o1
InChIInChI=1S/C18H30N2O4/c1-6-14-7-8-16(24-14)15-12-23-10-9-20(15)17(21)19-13(2)11-18(3,4)22-5/h7-8,13,15H,6,9-12H2,1-5H3,(H,19,21)/t13-,15-/m0/s1
InChIKeyPZVDMJWJMCIAJW-ZFWWWQNUSA-N
MW338.45 g/mol
LogP3.13
Rot. Bonds6

About (3S)-3-(5-ethylfuran-2-yl)-N-[(2S)-4-methoxy-4-methylpentan-2-yl]morpholine-4-carboxamide

(3S)-3-(5-ethylfuran-2-yl)-N-[(2S)-4-methoxy-4-methylpentan-2-yl]morpholine-4-carboxamide (PubChem CID 96519217) has the molecular formula C18H30N2O4 and a molecular weight of 338.45 g/mol. Its IUPAC name is (3S)-3-(5-ethylfuran-2-yl)-N-[(2S)-4-methoxy-4-methylpentan-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(3S)-3-(5-ethylfuran-2-yl)-N-[(2S)-4-methoxy-4-methylpentan-2-yl]morpholine-4-carboxamide
PubChem CID96519217
Molecular FormulaC18H30N2O4
Molecular Weight338.45 g/mol
Exact Mass338.22
IUPAC Name(3S)-3-(5-ethylfuran-2-yl)-N-[(2S)-4-methoxy-4-methylpentan-2-yl]morpholine-4-carboxamide
SMILESCCc1ccc([C@@H]2COCCN2C(=O)N[C@@H](C)CC(C)(C)OC)o1
InChIInChI=1S/C18H30N2O4/c1-6-14-7-8-16(24-14)15-12-23-10-9-20(15)17(21)19-13(2)11-18(3,4)22-5/h7-8,13,15H,6,9-12H2,1-5H3,(H,19,21)/t13-,15-/m0/s1
InChIKeyPZVDMJWJMCIAJW-ZFWWWQNUSA-N
XLogP3.13
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(5-ethylfuran-2-yl)-N-[(2S)-4-methoxy-4-methylpentan-2-yl]morpholine-4-carboxamide?
The IUPAC name of (3S)-3-(5-ethylfuran-2-yl)-N-[(2S)-4-methoxy-4-methylpentan-2-yl]morpholine-4-carboxamide (CID 96519217) is (3S)-3-(5-ethylfuran-2-yl)-N-[(2S)-4-methoxy-4-methylpentan-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for (3S)-3-(5-ethylfuran-2-yl)-N-[(2S)-4-methoxy-4-methylpentan-2-yl]morpholine-4-carboxamide?
The canonical SMILES for (3S)-3-(5-ethylfuran-2-yl)-N-[(2S)-4-methoxy-4-methylpentan-2-yl]morpholine-4-carboxamide is CCc1ccc([C@@H]2COCCN2C(=O)N[C@@H](C)CC(C)(C)OC)o1.
What is the InChIKey of (3S)-3-(5-ethylfuran-2-yl)-N-[(2S)-4-methoxy-4-methylpentan-2-yl]morpholine-4-carboxamide?
The InChIKey is PZVDMJWJMCIAJW-ZFWWWQNUSA-N. The full InChI is InChI=1S/C18H30N2O4/c1-6-14-7-8-16(24-14)15-12-23-10-9-20(15)17(21)19-13(2)11-18(3,4)22-5/h7-8,13,15H,6,9-12H2,1-5H3,(H,19,21)/t13-,15-/m0/s1.
What are the key properties of (3S)-3-(5-ethylfuran-2-yl)-N-[(2S)-4-methoxy-4-methylpentan-2-yl]morpholine-4-carboxamide?
(3S)-3-(5-ethylfuran-2-yl)-N-[(2S)-4-methoxy-4-methylpentan-2-yl]morpholine-4-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(5-ethylfuran-2-yl)-N-[(2S)-4-methoxy-4-methylpentan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 96519217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).