2-(butan-2-ylamino)-N-[2-(ethylamino)-2-oxoethyl]-N-methylacetamide

C11H23N3O2 — CID 60963182

IUPAC2-(butan-2-ylamino)-N-[2-(ethylamino)-2-oxoethyl]-N-methylacetamide
SMILESCCNC(=O)CN(C)C(=O)CNC(C)CC
InChIInChI=1S/C11H23N3O2/c1-5-9(3)13-7-11(16)14(4)8-10(15)12-6-2/h9,13H,5-8H2,1-4H3,(H,12,15)
InChIKeyUVIRGRDLYZOIEN-UHFFFAOYSA-N
MW229.32 g/mol
LogP-0.03
Rot. Bonds7

About 2-(butan-2-ylamino)-N-[2-(ethylamino)-2-oxoethyl]-N-methylacetamide

2-(butan-2-ylamino)-N-[2-(ethylamino)-2-oxoethyl]-N-methylacetamide (PubChem CID 60963182) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-N-[2-(ethylamino)-2-oxoethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-N-[2-(ethylamino)-2-oxoethyl]-N-methylacetamide
PubChem CID60963182
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name2-(butan-2-ylamino)-N-[2-(ethylamino)-2-oxoethyl]-N-methylacetamide
SMILESCCNC(=O)CN(C)C(=O)CNC(C)CC
InChIInChI=1S/C11H23N3O2/c1-5-9(3)13-7-11(16)14(4)8-10(15)12-6-2/h9,13H,5-8H2,1-4H3,(H,12,15)
InChIKeyUVIRGRDLYZOIEN-UHFFFAOYSA-N
XLogP-0.03
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2S)-butan-2-yl]amino]-N,N-dimethylacetamide
CID 28565761
2-(butan-2-ylamino)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 54872948
N-[2-(ethylamino)-2-oxoethyl]-N-methyl-2-(propylamino)acetamide
CID 55207779
2-amino-N-[2-[[2-(ethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]acetamide
CID 60963649
2-(butan-2-ylamino)-N-methyl-N-(3-methylbutyl)acetamide
CID 60964030
2-(butan-2-ylamino)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide
CID 60947783
3-[[2-(ethylamino)-2-oxoethyl]-methylamino]-3-oxopropanoic acid
CID 62230429
2-[[2-[acetyl(methyl)amino]acetyl]amino]-N-ethylacetamide
CID 143168643
N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]-2-oxoethyl]-2-[[2-[formyl(methyl)amino]acetyl]amino]-N-methylacetamide;N-ethylpropan-2-amine;2-[[2-[[2-[formyl(methyl)amino]acetyl]amino]acetyl]-methylamino]acetic acid
CID 176672097
methyl 3-[[2-(butan-2-ylamino)acetyl]-methylamino]-2-methylpropanoate
CID 54873462
3-chloro-N-[2-(ethylamino)-2-oxoethyl]-N-methylpropanamide
CID 60948700
N-[2-(ethylamino)-2-oxoethyl]-N-methyl-3-sulfanylpropanamide
CID 107025957

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-N-[2-(ethylamino)-2-oxoethyl]-N-methylacetamide?
The IUPAC name of 2-(butan-2-ylamino)-N-[2-(ethylamino)-2-oxoethyl]-N-methylacetamide (CID 60963182) is 2-(butan-2-ylamino)-N-[2-(ethylamino)-2-oxoethyl]-N-methylacetamide.
What is the SMILES notation for 2-(butan-2-ylamino)-N-[2-(ethylamino)-2-oxoethyl]-N-methylacetamide?
The canonical SMILES for 2-(butan-2-ylamino)-N-[2-(ethylamino)-2-oxoethyl]-N-methylacetamide is CCNC(=O)CN(C)C(=O)CNC(C)CC.
What is the InChIKey of 2-(butan-2-ylamino)-N-[2-(ethylamino)-2-oxoethyl]-N-methylacetamide?
The InChIKey is UVIRGRDLYZOIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-5-9(3)13-7-11(16)14(4)8-10(15)12-6-2/h9,13H,5-8H2,1-4H3,(H,12,15).
What are the key properties of 2-(butan-2-ylamino)-N-[2-(ethylamino)-2-oxoethyl]-N-methylacetamide?
2-(butan-2-ylamino)-N-[2-(ethylamino)-2-oxoethyl]-N-methylacetamide has a molecular weight of 229.32 g/mol, XLogP of -0.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-N-[2-(ethylamino)-2-oxoethyl]-N-methylacetamide is sourced from PubChem (CID 60963182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).