(2S)-N-[(2R)-but-3-en-2-yl]-2-ethyl-2-methylmorpholine-4-carboxamide

C12H22N2O2 — CID 99857658

IUPAC(2S)-N-[(2R)-but-3-en-2-yl]-2-ethyl-2-methylmorpholine-4-carboxamide
SMILESC=C[C@@H](C)NC(=O)N1CCO[C@@](C)(CC)C1
InChIInChI=1S/C12H22N2O2/c1-5-10(3)13-11(15)14-7-8-16-12(4,6-2)9-14/h5,10H,1,6-9H2,2-4H3,(H,13,15)/t10-,12+/m1/s1
InChIKeyCFKDHXWEYYYADH-PWSUYJOCSA-N
MW226.32 g/mol
LogP1.77
Rot. Bonds3

About (2S)-N-[(2R)-but-3-en-2-yl]-2-ethyl-2-methylmorpholine-4-carboxamide

(2S)-N-[(2R)-but-3-en-2-yl]-2-ethyl-2-methylmorpholine-4-carboxamide (PubChem CID 99857658) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (2S)-N-[(2R)-but-3-en-2-yl]-2-ethyl-2-methylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(2R)-but-3-en-2-yl]-2-ethyl-2-methylmorpholine-4-carboxamide
PubChem CID99857658
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name(2S)-N-[(2R)-but-3-en-2-yl]-2-ethyl-2-methylmorpholine-4-carboxamide
SMILESC=C[C@@H](C)NC(=O)N1CCO[C@@](C)(CC)C1
InChIInChI=1S/C12H22N2O2/c1-5-10(3)13-11(15)14-7-8-16-12(4,6-2)9-14/h5,10H,1,6-9H2,2-4H3,(H,13,15)/t10-,12+/m1/s1
InChIKeyCFKDHXWEYYYADH-PWSUYJOCSA-N
XLogP1.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,6-dimethyl-N-prop-2-enylmorpholine-4-carboxamide
CID 70349069
(2R,6R)-2,6-dimethyl-N-prop-2-enylmorpholine-4-carboxamide
CID 70394361
(2S,6R)-2,6-dimethyl-N-prop-2-enylmorpholine-4-carboxamide
CID 70395377
N-[(5E)-6-amino-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]hexa-1,5-dien-3-yl]formamide
CID 89214851
1-[(2,6-Dimethylmorpholin-4-yl)methyl]-3-prop-2-enylurea
CID 249768
1-(1-Methoxypropan-2-yl)-3-(1-prop-2-enylpiperidin-4-yl)urea
CID 60267490
1-[(1-Methoxycyclobutyl)methyl]-3-(1-prop-2-enylpiperidin-4-yl)urea
CID 84599585
1-Methyl-3-[1-(4-methylmorpholin-2-yl)ethyl]-1-prop-2-enylurea
CID 91649762
1-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-3-prop-2-enylurea
CID 92533024
1-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-3-prop-2-enylurea
CID 92856311
1-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-3-prop-2-enylurea
CID 92856312
1-methyl-3-[(1S)-1-[(2S)-4-methylmorpholin-2-yl]ethyl]-1-prop-2-enylurea
CID 99856554

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2R)-but-3-en-2-yl]-2-ethyl-2-methylmorpholine-4-carboxamide?
The IUPAC name of (2S)-N-[(2R)-but-3-en-2-yl]-2-ethyl-2-methylmorpholine-4-carboxamide (CID 99857658) is (2S)-N-[(2R)-but-3-en-2-yl]-2-ethyl-2-methylmorpholine-4-carboxamide.
What is the SMILES notation for (2S)-N-[(2R)-but-3-en-2-yl]-2-ethyl-2-methylmorpholine-4-carboxamide?
The canonical SMILES for (2S)-N-[(2R)-but-3-en-2-yl]-2-ethyl-2-methylmorpholine-4-carboxamide is C=C[C@@H](C)NC(=O)N1CCO[C@@](C)(CC)C1.
What is the InChIKey of (2S)-N-[(2R)-but-3-en-2-yl]-2-ethyl-2-methylmorpholine-4-carboxamide?
The InChIKey is CFKDHXWEYYYADH-PWSUYJOCSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-5-10(3)13-11(15)14-7-8-16-12(4,6-2)9-14/h5,10H,1,6-9H2,2-4H3,(H,13,15)/t10-,12+/m1/s1.
What are the key properties of (2S)-N-[(2R)-but-3-en-2-yl]-2-ethyl-2-methylmorpholine-4-carboxamide?
(2S)-N-[(2R)-but-3-en-2-yl]-2-ethyl-2-methylmorpholine-4-carboxamide has a molecular weight of 226.32 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2R)-but-3-en-2-yl]-2-ethyl-2-methylmorpholine-4-carboxamide is sourced from PubChem (CID 99857658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).