4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbutanamide

C11H23N3O2 — CID 60936943

IUPAC4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbutanamide
SMILESCN(CC(=O)NC(C)(C)C)C(=O)CCCN
InChIInChI=1S/C11H23N3O2/c1-11(2,3)13-9(15)8-14(4)10(16)6-5-7-12/h5-8,12H2,1-4H3,(H,13,15)
InChIKeyBSTZJRHULXFKNC-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.10
Rot. Bonds5

About 4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbutanamide

4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbutanamide (PubChem CID 60936943) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbutanamide
PubChem CID60936943
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbutanamide
SMILESCN(CC(=O)NC(C)(C)C)C(=O)CCCN
InChIInChI=1S/C11H23N3O2/c1-11(2,3)13-9(15)8-14(4)10(16)6-5-7-12/h5-8,12H2,1-4H3,(H,13,15)
InChIKeyBSTZJRHULXFKNC-UHFFFAOYSA-N
XLogP0.10
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-6-oxohexanoic acid
CID 54874830
N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbutanamide
CID 60717641
4-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide;hydrochloride
CID 119272108
N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-oxobutanamide
CID 60951663
N-[2-(tert-butylamino)-2-oxoethyl]-4-(1,3-dioxoisoindol-2-yl)-N-methylbutanamide
CID 18118114
4-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbutanamide
CID 119267877
2-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethoxy]acetic acid
CID 61329426
4-amino-N-ethyl-N-methylbutanamide;hydrochloride
CID 173105098
2-(1-aminocyclohexyl)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylacetamide
CID 64685095
3-amino-N-methyl-N-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]propanamide
CID 165148153
N-[2-(tert-butylamino)-2-oxoethyl]-3-(1,3-dioxoisoindol-2-yl)-N-methylpropanamide
CID 9193681
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-methylpentanoylamino)acetate
CID 56519548

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbutanamide?
The IUPAC name of 4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbutanamide (CID 60936943) is 4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbutanamide.
What is the SMILES notation for 4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbutanamide?
The canonical SMILES for 4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbutanamide is CN(CC(=O)NC(C)(C)C)C(=O)CCCN.
What is the InChIKey of 4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbutanamide?
The InChIKey is BSTZJRHULXFKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-11(2,3)13-9(15)8-14(4)10(16)6-5-7-12/h5-8,12H2,1-4H3,(H,13,15).
What are the key properties of 4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbutanamide?
4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbutanamide has a molecular weight of 229.32 g/mol, XLogP of 0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbutanamide is sourced from PubChem (CID 60936943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).