(3S)-4-(5-ethyl-4-methylfuran-2-carbonyl)morpholine-3-carboxamide

C13H18N2O4 — CID 97141386

IUPAC(3S)-4-(5-ethyl-4-methylfuran-2-carbonyl)morpholine-3-carboxamide
SMILESCCc1oc(C(=O)N2CCOC[C@H]2C(N)=O)cc1C
InChIInChI=1S/C13H18N2O4/c1-3-10-8(2)6-11(19-10)13(17)15-4-5-18-7-9(15)12(14)16/h6,9H,3-5,7H2,1-2H3,(H2,14,16)/t9-/m0/s1
InChIKeyTUYZTWJRLOEDRQ-VIFPVBQESA-N
MW266.30 g/mol
LogP0.48
Rot. Bonds3

About (3S)-4-(5-ethyl-4-methylfuran-2-carbonyl)morpholine-3-carboxamide

(3S)-4-(5-ethyl-4-methylfuran-2-carbonyl)morpholine-3-carboxamide (PubChem CID 97141386) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is (3S)-4-(5-ethyl-4-methylfuran-2-carbonyl)morpholine-3-carboxamide.

Molecular Properties

Compound Name(3S)-4-(5-ethyl-4-methylfuran-2-carbonyl)morpholine-3-carboxamide
PubChem CID97141386
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name(3S)-4-(5-ethyl-4-methylfuran-2-carbonyl)morpholine-3-carboxamide
SMILESCCc1oc(C(=O)N2CCOC[C@H]2C(N)=O)cc1C
InChIInChI=1S/C13H18N2O4/c1-3-10-8(2)6-11(19-10)13(17)15-4-5-18-7-9(15)12(14)16/h6,9H,3-5,7H2,1-2H3,(H2,14,16)/t9-/m0/s1
InChIKeyTUYZTWJRLOEDRQ-VIFPVBQESA-N
XLogP0.48
TPSA85.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-amino-2-methylbenzoyl)morpholine-3-carboxamide
CID 83094286
[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(5-ethyl-4-methylfuran-2-yl)methanone
CID 124684683
4-[4-(bromomethyl)benzoyl]morpholine-3-carboxamide
CID 102852003
4-(3-amino-4-ethoxybenzoyl)morpholine-3-carboxamide
CID 83094011
4-(2-iodo-3-methylbenzoyl)morpholine-3-carboxamide
CID 113346648
1-(5-ethyl-4-methylfuran-2-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 120534474
4-(2-amino-2-ethylbutanoyl)morpholine-3-carboxamide
CID 83101952
4-(4-fluorobenzoyl)morpholine-3-carboxamide
CID 83093019
4-(naphthalene-2-carbonyl)morpholine-3-carboxamide
CID 119033707
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(5-ethyl-4-methylfuran-2-yl)methanone
CID 84588429
4-(3-hydroxy-4-methoxybenzoyl)morpholine-3-carboxamide
CID 83095785
4-(4-amino-3-methoxybenzoyl)morpholine-3-carboxamide
CID 104783187

Frequently Asked Questions

What is the IUPAC name of (3S)-4-(5-ethyl-4-methylfuran-2-carbonyl)morpholine-3-carboxamide?
The IUPAC name of (3S)-4-(5-ethyl-4-methylfuran-2-carbonyl)morpholine-3-carboxamide (CID 97141386) is (3S)-4-(5-ethyl-4-methylfuran-2-carbonyl)morpholine-3-carboxamide.
What is the SMILES notation for (3S)-4-(5-ethyl-4-methylfuran-2-carbonyl)morpholine-3-carboxamide?
The canonical SMILES for (3S)-4-(5-ethyl-4-methylfuran-2-carbonyl)morpholine-3-carboxamide is CCc1oc(C(=O)N2CCOC[C@H]2C(N)=O)cc1C.
What is the InChIKey of (3S)-4-(5-ethyl-4-methylfuran-2-carbonyl)morpholine-3-carboxamide?
The InChIKey is TUYZTWJRLOEDRQ-VIFPVBQESA-N. The full InChI is InChI=1S/C13H18N2O4/c1-3-10-8(2)6-11(19-10)13(17)15-4-5-18-7-9(15)12(14)16/h6,9H,3-5,7H2,1-2H3,(H2,14,16)/t9-/m0/s1.
What are the key properties of (3S)-4-(5-ethyl-4-methylfuran-2-carbonyl)morpholine-3-carboxamide?
(3S)-4-(5-ethyl-4-methylfuran-2-carbonyl)morpholine-3-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-(5-ethyl-4-methylfuran-2-carbonyl)morpholine-3-carboxamide is sourced from PubChem (CID 97141386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).