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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Related Compounds

2,4-Diamino-1-morpholin-4-yl-butan-1-one
CID 44364253
2-Amino-1-(morpholin-4-yl)butan-1-one
CID 22273198
N-[3-(morpholin-4-yl)propyl]-N'-(propan-2-yl)ethanediamide
CID 2055735
2-{Methyl[(morpholin-2-yl)methyl]amino}acetamide
CID 64533243
2-(2-ethylmorpholin-4-yl)-N-propan-2-ylacetamide
CID 53525512
2-[(2S)-1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-(2-propan-2-yloxyethyl)acetamide
CID 25283128
(2S)-2-(2,2-dimethylmorpholin-4-yl)-N-prop-2-ynylpropanamide
CID 38136094
N-[1-(2,6-dimethylmorpholin-4-yl)-3-methyl-1-oxobutan-2-yl]acetamide
CID 46798170
N-[2-(2,2-dimethylmorpholin-4-yl)-2-oxoethyl]-3,3-dimethylbutanamide
CID 86829274
N-ethyl-3-[2-(2-ethylmorpholin-4-yl)butanoylamino]-2,2-dimethylpropanamide
CID 119038295
N-[1-[(2S)-2-methylmorpholin-4-yl]-1-oxopropan-2-yl]acetamide
CID 128537882
(2S)-N-(4-fluoro-3-oxobutan-2-yl)-2-(methylamino)-4-morpholin-4-yl-4-oxobutanamide
CID 141910807

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).