N,2,2-trimethyl-N'-[2-(3-oxomorpholin-4-yl)ethyl]butanediamide

C13H23N3O4 — CID 166506359

IUPACN,2,2-trimethyl-N'-[2-(3-oxomorpholin-4-yl)ethyl]butanediamide
SMILESCNC(=O)C(C)(C)CC(=O)NCCN1CCOCC1=O
InChIInChI=1S/C13H23N3O4/c1-13(2,12(19)14-3)8-10(17)15-4-5-16-6-7-20-9-11(16)18/h4-9H2,1-3H3,(H,14,19)(H,15,17)
InChIKeyYPZYYKNSFHBUSS-UHFFFAOYSA-N
MW285.34 g/mol
LogP-0.88
Rot. Bonds6

About N,2,2-trimethyl-N'-[2-(3-oxomorpholin-4-yl)ethyl]butanediamide

N,2,2-trimethyl-N'-[2-(3-oxomorpholin-4-yl)ethyl]butanediamide (PubChem CID 166506359) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is N,2,2-trimethyl-N'-[2-(3-oxomorpholin-4-yl)ethyl]butanediamide.

Molecular Properties

Compound NameN,2,2-trimethyl-N'-[2-(3-oxomorpholin-4-yl)ethyl]butanediamide
PubChem CID166506359
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC NameN,2,2-trimethyl-N'-[2-(3-oxomorpholin-4-yl)ethyl]butanediamide
SMILESCNC(=O)C(C)(C)CC(=O)NCCN1CCOCC1=O
InChIInChI=1S/C13H23N3O4/c1-13(2,12(19)14-3)8-10(17)15-4-5-16-6-7-20-9-11(16)18/h4-9H2,1-3H3,(H,14,19)(H,15,17)
InChIKeyYPZYYKNSFHBUSS-UHFFFAOYSA-N
XLogP-0.88
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-oxomorpholin-4-yl)ethyl]-2-thiophen-2-ylacetamide
CID 110722581
3-(3-methylphenyl)-N-[2-(3-oxomorpholin-4-yl)ethyl]propanamide
CID 110722622
1-cyclopentyl-3-[2-(3-oxomorpholin-4-yl)ethyl]urea
CID 110748156
4-(2,2-dimethylpropyl)morpholin-3-one
CID 59172197
4-decylmorpholin-3-one
CID 154372852
4-(4-amino-3,3-dimethylbutyl)morpholin-3-one
CID 79469345
2-(3-oxomorpholin-4-yl)ethanolate
CID 142382646
3-(dimethylamino)-N-[2-(3-oxomorpholin-4-yl)ethyl]benzamide
CID 110743626
acetylene;ethane;4-propylmorpholin-3-one
CID 142466574
4-(3-methylbutyl)morpholin-3-one
CID 58222536
N-[2-(3-oxomorpholin-4-yl)ethyl]pyridine-3-carboxamide
CID 110722595
2,2-dimethyl-N'-(3-morpholin-4-ylpropyl)butanediamide
CID 173284706

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-N'-[2-(3-oxomorpholin-4-yl)ethyl]butanediamide?
The IUPAC name of N,2,2-trimethyl-N'-[2-(3-oxomorpholin-4-yl)ethyl]butanediamide (CID 166506359) is N,2,2-trimethyl-N'-[2-(3-oxomorpholin-4-yl)ethyl]butanediamide.
What is the SMILES notation for N,2,2-trimethyl-N'-[2-(3-oxomorpholin-4-yl)ethyl]butanediamide?
The canonical SMILES for N,2,2-trimethyl-N'-[2-(3-oxomorpholin-4-yl)ethyl]butanediamide is CNC(=O)C(C)(C)CC(=O)NCCN1CCOCC1=O.
What is the InChIKey of N,2,2-trimethyl-N'-[2-(3-oxomorpholin-4-yl)ethyl]butanediamide?
The InChIKey is YPZYYKNSFHBUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-13(2,12(19)14-3)8-10(17)15-4-5-16-6-7-20-9-11(16)18/h4-9H2,1-3H3,(H,14,19)(H,15,17).
What are the key properties of N,2,2-trimethyl-N'-[2-(3-oxomorpholin-4-yl)ethyl]butanediamide?
N,2,2-trimethyl-N'-[2-(3-oxomorpholin-4-yl)ethyl]butanediamide has a molecular weight of 285.34 g/mol, XLogP of -0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-N'-[2-(3-oxomorpholin-4-yl)ethyl]butanediamide is sourced from PubChem (CID 166506359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).