4-(2,2-dimethylmorpholin-4-yl)-2-(ethylamino)butanamide

C12H25N3O2 — CID 63053335

IUPAC4-(2,2-dimethylmorpholin-4-yl)-2-(ethylamino)butanamide
SMILESCCNC(CCN1CCOC(C)(C)C1)C(N)=O
InChIInChI=1S/C12H25N3O2/c1-4-14-10(11(13)16)5-6-15-7-8-17-12(2,3)9-15/h10,14H,4-9H2,1-3H3,(H2,13,16)
InChIKeyQPKZZHUYHDFVJK-UHFFFAOYSA-N
MW243.35 g/mol
LogP-0.05
Rot. Bonds6

About 4-(2,2-dimethylmorpholin-4-yl)-2-(ethylamino)butanamide

4-(2,2-dimethylmorpholin-4-yl)-2-(ethylamino)butanamide (PubChem CID 63053335) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-(2,2-dimethylmorpholin-4-yl)-2-(ethylamino)butanamide.

Molecular Properties

Compound Name4-(2,2-dimethylmorpholin-4-yl)-2-(ethylamino)butanamide
PubChem CID63053335
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name4-(2,2-dimethylmorpholin-4-yl)-2-(ethylamino)butanamide
SMILESCCNC(CCN1CCOC(C)(C)C1)C(N)=O
InChIInChI=1S/C12H25N3O2/c1-4-14-10(11(13)16)5-6-15-7-8-17-12(2,3)9-15/h10,14H,4-9H2,1-3H3,(H2,13,16)
InChIKeyQPKZZHUYHDFVJK-UHFFFAOYSA-N
XLogP-0.05
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylmorpholin-4-yl)-2-(ethylamino)butanamide?
The IUPAC name of 4-(2,2-dimethylmorpholin-4-yl)-2-(ethylamino)butanamide (CID 63053335) is 4-(2,2-dimethylmorpholin-4-yl)-2-(ethylamino)butanamide.
What is the SMILES notation for 4-(2,2-dimethylmorpholin-4-yl)-2-(ethylamino)butanamide?
The canonical SMILES for 4-(2,2-dimethylmorpholin-4-yl)-2-(ethylamino)butanamide is CCNC(CCN1CCOC(C)(C)C1)C(N)=O.
What is the InChIKey of 4-(2,2-dimethylmorpholin-4-yl)-2-(ethylamino)butanamide?
The InChIKey is QPKZZHUYHDFVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-4-14-10(11(13)16)5-6-15-7-8-17-12(2,3)9-15/h10,14H,4-9H2,1-3H3,(H2,13,16).
What are the key properties of 4-(2,2-dimethylmorpholin-4-yl)-2-(ethylamino)butanamide?
4-(2,2-dimethylmorpholin-4-yl)-2-(ethylamino)butanamide has a molecular weight of 243.35 g/mol, XLogP of -0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylmorpholin-4-yl)-2-(ethylamino)butanamide is sourced from PubChem (CID 63053335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).