(2S)-4-acetyl-2-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]morpholine-2-carboxamide

C13H22N4O4 — CID 125012356

IUPAC(2S)-4-acetyl-2-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]morpholine-2-carboxamide
SMILESCC(=O)N1CCO[C@](C)(C(=O)NCCN2CCNC2=O)C1
InChIInChI=1S/C13H22N4O4/c1-10(18)17-7-8-21-13(2,9-17)11(19)14-3-5-16-6-4-15-12(16)20/h3-9H2,1-2H3,(H,14,19)(H,15,20)/t13-/m0/s1
InChIKeyVWXNWLBPGLWPJC-ZDUSSCGKSA-N
MW298.34 g/mol
LogP-1.23
Rot. Bonds4

About (2S)-4-acetyl-2-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]morpholine-2-carboxamide

(2S)-4-acetyl-2-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]morpholine-2-carboxamide (PubChem CID 125012356) has the molecular formula C13H22N4O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is (2S)-4-acetyl-2-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-acetyl-2-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]morpholine-2-carboxamide
PubChem CID125012356
Molecular FormulaC13H22N4O4
Molecular Weight298.34 g/mol
Exact Mass298.16
IUPAC Name(2S)-4-acetyl-2-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]morpholine-2-carboxamide
SMILESCC(=O)N1CCO[C@](C)(C(=O)NCCN2CCNC2=O)C1
InChIInChI=1S/C13H22N4O4/c1-10(18)17-7-8-21-13(2,9-17)11(19)14-3-5-16-6-4-15-12(16)20/h3-9H2,1-2H3,(H,14,19)(H,15,20)/t13-/m0/s1
InChIKeyVWXNWLBPGLWPJC-ZDUSSCGKSA-N
XLogP-1.23
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 5-1.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-2-methyl-N-(2-piperidin-1-ylethyl)morpholine-2-carboxamide
CID 110094654
(2R)-4-acetyl-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]morpholine-2-carboxamide
CID 125022537
(2S)-4-acetyl-2-methyl-N-(3-pyrrolidin-1-ylpropyl)morpholine-2-carboxamide
CID 124968264
4-acetyl-2-methyl-N-(2-pyridin-4-ylethyl)morpholine-2-carboxamide
CID 110094656
N-[2-(2-oxoimidazolidin-1-yl)ethyl]propanamide
CID 59804618
N-[2-(2-oxoimidazolidin-1-yl)ethyl]carbamate
CID 18454819
(3Z)-1-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-[2-(2-oxoimidazolidin-1-yl)ethylcarbamoylimino]urea
CID 88552348
(2R)-4-acetyl-N-[(2,4-difluorophenyl)methyl]-2-methylmorpholine-2-carboxamide
CID 124958386
(2S)-4-acetyl-N-[(2,4-difluorophenyl)methyl]-2-methylmorpholine-2-carboxamide
CID 124958385
(2S)-4-acetyl-N-cycloheptyl-2-methylmorpholine-2-carboxamide
CID 124986827
2,2,4,4-tetramethyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pentanamide
CID 129177607
ethane;1-[2-(methylamino)ethyl]imidazolidin-2-one
CID 142017156

Frequently Asked Questions

What is the IUPAC name of (2S)-4-acetyl-2-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]morpholine-2-carboxamide?
The IUPAC name of (2S)-4-acetyl-2-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]morpholine-2-carboxamide (CID 125012356) is (2S)-4-acetyl-2-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]morpholine-2-carboxamide.
What is the SMILES notation for (2S)-4-acetyl-2-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]morpholine-2-carboxamide?
The canonical SMILES for (2S)-4-acetyl-2-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]morpholine-2-carboxamide is CC(=O)N1CCO[C@](C)(C(=O)NCCN2CCNC2=O)C1.
What is the InChIKey of (2S)-4-acetyl-2-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]morpholine-2-carboxamide?
The InChIKey is VWXNWLBPGLWPJC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H22N4O4/c1-10(18)17-7-8-21-13(2,9-17)11(19)14-3-5-16-6-4-15-12(16)20/h3-9H2,1-2H3,(H,14,19)(H,15,20)/t13-/m0/s1.
What are the key properties of (2S)-4-acetyl-2-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]morpholine-2-carboxamide?
(2S)-4-acetyl-2-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]morpholine-2-carboxamide has a molecular weight of 298.34 g/mol, XLogP of -1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-acetyl-2-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]morpholine-2-carboxamide is sourced from PubChem (CID 125012356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).