2-[(3,3-dimethyl-2-oxobutyl)-ethylamino]-N-ethylacetamide

C12H24N2O2 — CID 62029161

IUPAC2-[(3,3-dimethyl-2-oxobutyl)-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)CC(=O)C(C)(C)C
InChIInChI=1S/C12H24N2O2/c1-6-13-11(16)9-14(7-2)8-10(15)12(3,4)5/h6-9H2,1-5H3,(H,13,16)
InChIKeyLNITVAPSQNLFHA-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.06
Rot. Bonds6

About 2-[(3,3-dimethyl-2-oxobutyl)-ethylamino]-N-ethylacetamide

2-[(3,3-dimethyl-2-oxobutyl)-ethylamino]-N-ethylacetamide (PubChem CID 62029161) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-[(3,3-dimethyl-2-oxobutyl)-ethylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(3,3-dimethyl-2-oxobutyl)-ethylamino]-N-ethylacetamide
PubChem CID62029161
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-[(3,3-dimethyl-2-oxobutyl)-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)CC(=O)C(C)(C)C
InChIInChI=1S/C12H24N2O2/c1-6-13-11(16)9-14(7-2)8-10(15)12(3,4)5/h6-9H2,1-5H3,(H,13,16)
InChIKeyLNITVAPSQNLFHA-UHFFFAOYSA-N
XLogP1.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-[ethyl-[2-oxo-2-(prop-2-enylamino)ethyl]amino]acetamide
CID 78795286
1-[ethyl(propyl)amino]-3,3-dimethylbutan-2-one
CID 43795355
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 60707866
N-[2-(ethylamino)-2-oxoethyl]-N,2,2-trimethylpropanamide
CID 61150518
4-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-methylbut-2-enoic acid
CID 77074530
N-ethyl-2-[ethyl-[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]acetamide
CID 26519118
2-[(2-cyclohexyl-2-oxoethyl)-ethylamino]-N-ethylacetamide
CID 104750581
2-[2-(azetidin-3-yl)ethyl-ethylamino]-N-ethylacetamide
CID 107390894
N-ethyl-2-[ethyl(methyl)amino]acetamide;hydrochloride
CID 130736747
2-[bis(3-aminopropyl)amino]-N-[3-[3-[[2-[bis(3-aminopropyl)amino]acetyl]amino]propyl-(3,3-dimethyl-2-oxobutyl)amino]propyl]acetamide
CID 58005077
N-ethyl-2-[ethyl(4-oxohexyl)amino]acetamide
CID 106801389
2-[tert-butylcarbamoyl(ethyl)amino]-N-ethylacetamide
CID 115571895

Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-dimethyl-2-oxobutyl)-ethylamino]-N-ethylacetamide?
The IUPAC name of 2-[(3,3-dimethyl-2-oxobutyl)-ethylamino]-N-ethylacetamide (CID 62029161) is 2-[(3,3-dimethyl-2-oxobutyl)-ethylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[(3,3-dimethyl-2-oxobutyl)-ethylamino]-N-ethylacetamide?
The canonical SMILES for 2-[(3,3-dimethyl-2-oxobutyl)-ethylamino]-N-ethylacetamide is CCNC(=O)CN(CC)CC(=O)C(C)(C)C.
What is the InChIKey of 2-[(3,3-dimethyl-2-oxobutyl)-ethylamino]-N-ethylacetamide?
The InChIKey is LNITVAPSQNLFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-6-13-11(16)9-14(7-2)8-10(15)12(3,4)5/h6-9H2,1-5H3,(H,13,16).
What are the key properties of 2-[(3,3-dimethyl-2-oxobutyl)-ethylamino]-N-ethylacetamide?
2-[(3,3-dimethyl-2-oxobutyl)-ethylamino]-N-ethylacetamide has a molecular weight of 228.34 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3-dimethyl-2-oxobutyl)-ethylamino]-N-ethylacetamide is sourced from PubChem (CID 62029161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).