(3R)-3-(5-ethylfuran-2-yl)-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]morpholine-4-carboxamide

C21H26N4O4 — CID 99715180

IUPAC(3R)-3-(5-ethylfuran-2-yl)-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]morpholine-4-carboxamide
SMILESCCc1ccc([C@H]2COCCN2C(=O)Nc2cccc(N3CCCNC3=O)c2)o1
InChIInChI=1S/C21H26N4O4/c1-2-17-7-8-19(29-17)18-14-28-12-11-25(18)21(27)23-15-5-3-6-16(13-15)24-10-4-9-22-20(24)26/h3,5-8,13,18H,2,4,9-12,14H2,1H3,(H,22,26)(H,23,27)/t18-/m1/s1
InChIKeyTTXXYFZHHIUACK-GOSISDBHSA-N
MW398.46 g/mol
LogP3.37
Rot. Bonds4

About (3R)-3-(5-ethylfuran-2-yl)-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]morpholine-4-carboxamide

(3R)-3-(5-ethylfuran-2-yl)-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]morpholine-4-carboxamide (PubChem CID 99715180) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is (3R)-3-(5-ethylfuran-2-yl)-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(3R)-3-(5-ethylfuran-2-yl)-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]morpholine-4-carboxamide
PubChem CID99715180
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC Name(3R)-3-(5-ethylfuran-2-yl)-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]morpholine-4-carboxamide
SMILESCCc1ccc([C@H]2COCCN2C(=O)Nc2cccc(N3CCCNC3=O)c2)o1
InChIInChI=1S/C21H26N4O4/c1-2-17-7-8-19(29-17)18-14-28-12-11-25(18)21(27)23-15-5-3-6-16(13-15)24-10-4-9-22-20(24)26/h3,5-8,13,18H,2,4,9-12,14H2,1H3,(H,22,26)(H,23,27)/t18-/m1/s1
InChIKeyTTXXYFZHHIUACK-GOSISDBHSA-N
XLogP3.37
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide
CID 79026340
3-[[3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]amino]propanoic acid
CID 122017688
2-cyclopentyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]pyrrolidine-1-carboxamide
CID 71938993
2-amino-2-(oxan-4-yl)-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide
CID 120795442
(3S)-3-(5-ethylfuran-2-yl)-N-[(2S)-4-methoxy-4-methylpentan-2-yl]morpholine-4-carboxamide
CID 96519217
1-[3-(5-ethylfuran-2-yl)morpholin-4-yl]-3-hydroxy-3-phenylbutan-1-one
CID 110025457
2-amino-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]pentanamide;hydrochloride
CID 119338335
2-[3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]cyclopropane-1-carboxylic acid
CID 119185554
N-[3-(2-oxoimidazolidin-1-yl)phenyl]acetamide
CID 47210940
N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119809570
2-[3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]pyridine-4-carboxylic acid
CID 122055723
4-[3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]pyridine-2-carboxylic acid
CID 119185550

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(5-ethylfuran-2-yl)-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]morpholine-4-carboxamide?
The IUPAC name of (3R)-3-(5-ethylfuran-2-yl)-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]morpholine-4-carboxamide (CID 99715180) is (3R)-3-(5-ethylfuran-2-yl)-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]morpholine-4-carboxamide.
What is the SMILES notation for (3R)-3-(5-ethylfuran-2-yl)-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]morpholine-4-carboxamide?
The canonical SMILES for (3R)-3-(5-ethylfuran-2-yl)-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]morpholine-4-carboxamide is CCc1ccc([C@H]2COCCN2C(=O)Nc2cccc(N3CCCNC3=O)c2)o1.
What is the InChIKey of (3R)-3-(5-ethylfuran-2-yl)-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]morpholine-4-carboxamide?
The InChIKey is TTXXYFZHHIUACK-GOSISDBHSA-N. The full InChI is InChI=1S/C21H26N4O4/c1-2-17-7-8-19(29-17)18-14-28-12-11-25(18)21(27)23-15-5-3-6-16(13-15)24-10-4-9-22-20(24)26/h3,5-8,13,18H,2,4,9-12,14H2,1H3,(H,22,26)(H,23,27)/t18-/m1/s1.
What are the key properties of (3R)-3-(5-ethylfuran-2-yl)-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]morpholine-4-carboxamide?
(3R)-3-(5-ethylfuran-2-yl)-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]morpholine-4-carboxamide has a molecular weight of 398.46 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(5-ethylfuran-2-yl)-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]morpholine-4-carboxamide is sourced from PubChem (CID 99715180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).