2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-methyl-N-propan-2-ylacetamide

C13H27N3O2 — CID 86911516

IUPAC2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-methyl-N-propan-2-ylacetamide
SMILESCCN(CC)C(=O)CN(C)CC(=O)N(C)C(C)C
InChIInChI=1S/C13H27N3O2/c1-7-16(8-2)13(18)10-14(5)9-12(17)15(6)11(3)4/h11H,7-10H2,1-6H3
InChIKeyMZBCQKDOSORBKI-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.65
Rot. Bonds7

About 2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-methyl-N-propan-2-ylacetamide

2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-methyl-N-propan-2-ylacetamide (PubChem CID 86911516) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-methyl-N-propan-2-ylacetamide
PubChem CID86911516
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-methyl-N-propan-2-ylacetamide
SMILESCCN(CC)C(=O)CN(C)CC(=O)N(C)C(C)C
InChIInChI=1S/C13H27N3O2/c1-7-16(8-2)13(18)10-14(5)9-12(17)15(6)11(3)4/h11H,7-10H2,1-6H3
InChIKeyMZBCQKDOSORBKI-UHFFFAOYSA-N
XLogP0.65
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-2-[2-hydroxypropyl(methyl)amino]acetamide
CID 62332611
2-[2-hydroxypropyl(methyl)amino]-N-methyl-N-propan-2-ylacetamide
CID 62332975
2-[ethyl(propan-2-yl)amino]-N-methyl-N-propan-2-ylacetamide
CID 176579290
N,N-diethyl-2-[methyl(propyl)amino]acetamide
CID 135175911
3-[methyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]propanoic acid
CID 60986775
1,1-diethyl-3-methyl-3-propan-2-ylurea
CID 89002923
2-[1-hydroxypropan-2-yl(methyl)amino]-N-methyl-N-propan-2-ylacetamide
CID 104554051
2-[cyclopentylmethyl(methyl)amino]-N-methyl-N-propan-2-ylacetamide
CID 86869723
N,N-diethyl-2-[hexyl(methyl)amino]acetamide
CID 86911436
N-methyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-propan-2-ylacetamide
CID 54904152
2-(diethylamino)-N,N-diethylacetamide
CID 13352066
N-(2-aminoethyl)-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]acetamide
CID 54946952

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-methyl-N-propan-2-ylacetamide (CID 86911516) is 2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-methyl-N-propan-2-ylacetamide is CCN(CC)C(=O)CN(C)CC(=O)N(C)C(C)C.
What is the InChIKey of 2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-methyl-N-propan-2-ylacetamide?
The InChIKey is MZBCQKDOSORBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-7-16(8-2)13(18)10-14(5)9-12(17)15(6)11(3)4/h11H,7-10H2,1-6H3.
What are the key properties of 2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-methyl-N-propan-2-ylacetamide?
2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-methyl-N-propan-2-ylacetamide has a molecular weight of 257.38 g/mol, XLogP of 0.65, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 86911516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).