(3S)-4-ethyl-N-methylmorpholine-3-carboxamide

C8H16N2O2 — CID 99978843

IUPAC(3S)-4-ethyl-N-methylmorpholine-3-carboxamide
SMILESCCN1CCOC[C@H]1C(=O)NC
InChIInChI=1S/C8H16N2O2/c1-3-10-4-5-12-6-7(10)8(11)9-2/h7H,3-6H2,1-2H3,(H,9,11)/t7-/m0/s1
InChIKeyWEMOOPGVWSOZSS-ZETCQYMHSA-N
MW172.23 g/mol
LogP-0.55
Rot. Bonds2

About (3S)-4-ethyl-N-methylmorpholine-3-carboxamide

(3S)-4-ethyl-N-methylmorpholine-3-carboxamide (PubChem CID 99978843) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is (3S)-4-ethyl-N-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(3S)-4-ethyl-N-methylmorpholine-3-carboxamide
PubChem CID99978843
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name(3S)-4-ethyl-N-methylmorpholine-3-carboxamide
SMILESCCN1CCOC[C@H]1C(=O)NC
InChIInChI=1S/C8H16N2O2/c1-3-10-4-5-12-6-7(10)8(11)9-2/h7H,3-6H2,1-2H3,(H,9,11)/t7-/m0/s1
InChIKeyWEMOOPGVWSOZSS-ZETCQYMHSA-N
XLogP-0.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

potassium trifluoro-[[3-(methylcarbamoyl)morpholin-4-yl]methyl]boranuide
CID 83104353
4-ethyl-N-[(3R,4S)-4-hydroxyoxolan-3-yl]morpholine-3-carboxamide
CID 167837851
4-(3-hydrazinyl-2,2-dimethyl-3-oxopropyl)-N-methylmorpholine-3-carboxamide
CID 83105959
4-[2-(2-aminoethoxy)ethyl]-N-methylmorpholine-3-carboxamide
CID 103482268
4-[2-(2-chlorophenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
CID 83103176
4-butanoyl-N-methylmorpholine-3-carboxamide
CID 83104060
4-[2-(2,4-dimethylphenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
CID 83101980
4-[2-(4-hydroxyphenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
CID 83102810
4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
CID 83103739
4-[2-(2,5-dichlorophenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
CID 83102101
4-[2-(4-aminophenyl)ethyl]-N-methylmorpholine-3-carboxamide
CID 83106155
N-methyl-4-(3-oxobutanoyl)morpholine-3-carboxamide
CID 83097475

Frequently Asked Questions

What is the IUPAC name of (3S)-4-ethyl-N-methylmorpholine-3-carboxamide?
The IUPAC name of (3S)-4-ethyl-N-methylmorpholine-3-carboxamide (CID 99978843) is (3S)-4-ethyl-N-methylmorpholine-3-carboxamide.
What is the SMILES notation for (3S)-4-ethyl-N-methylmorpholine-3-carboxamide?
The canonical SMILES for (3S)-4-ethyl-N-methylmorpholine-3-carboxamide is CCN1CCOC[C@H]1C(=O)NC.
What is the InChIKey of (3S)-4-ethyl-N-methylmorpholine-3-carboxamide?
The InChIKey is WEMOOPGVWSOZSS-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-3-10-4-5-12-6-7(10)8(11)9-2/h7H,3-6H2,1-2H3,(H,9,11)/t7-/m0/s1.
What are the key properties of (3S)-4-ethyl-N-methylmorpholine-3-carboxamide?
(3S)-4-ethyl-N-methylmorpholine-3-carboxamide has a molecular weight of 172.23 g/mol, XLogP of -0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-ethyl-N-methylmorpholine-3-carboxamide is sourced from PubChem (CID 99978843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).