2-(3,3-dimethylbutan-2-ylcarbamoylamino)-N,N-dimethylacetamide

C11H23N3O2 — CID 143361850

IUPAC2-(3,3-dimethylbutan-2-ylcarbamoylamino)-N,N-dimethylacetamide
SMILESCC(NC(=O)NCC(=O)N(C)C)C(C)(C)C
InChIInChI=1S/C11H23N3O2/c1-8(11(2,3)4)13-10(16)12-7-9(15)14(5)6/h8H,7H2,1-6H3,(H2,12,13,16)
InChIKeySQDJFZXYDBCYKY-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.81
Rot. Bonds3

About 2-(3,3-dimethylbutan-2-ylcarbamoylamino)-N,N-dimethylacetamide

2-(3,3-dimethylbutan-2-ylcarbamoylamino)-N,N-dimethylacetamide (PubChem CID 143361850) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-(3,3-dimethylbutan-2-ylcarbamoylamino)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(3,3-dimethylbutan-2-ylcarbamoylamino)-N,N-dimethylacetamide
PubChem CID143361850
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name2-(3,3-dimethylbutan-2-ylcarbamoylamino)-N,N-dimethylacetamide
SMILESCC(NC(=O)NCC(=O)N(C)C)C(C)(C)C
InChIInChI=1S/C11H23N3O2/c1-8(11(2,3)4)13-10(16)12-7-9(15)14(5)6/h8H,7H2,1-6H3,(H2,12,13,16)
InChIKeySQDJFZXYDBCYKY-UHFFFAOYSA-N
XLogP0.81
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-3-methylpentanoic acid
CID 61197820
3-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66176563
N-[2-(dimethylamino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 60667715
2-chloro-N-[[2-(dimethylamino)-2-oxoethyl]carbamoyl]propanamide
CID 43311123
4-(3,3-dimethylbutan-2-ylcarbamoylamino)-2-methylbutanoic acid
CID 104829285
1-tert-butyl-3-[(2S)-3,3-dimethylbutan-2-yl]urea
CID 159105073
4-(3,3-dimethylbutan-2-ylcarbamoylamino)-2-hydroxybutanoic acid
CID 107841000
(2S,4S)-N-[3-amino-1-(cyclobutylamino)-2,3-dioxopropyl]-1-formyl-4-propan-2-ylpyrrolidine-2-carboxamide;2-(3,3-dimethylbutan-2-ylcarbamoylamino)-N,N-dimethylacetamide;propane
CID 143361848
2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-2-phenylacetic acid
CID 61198379
2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-methoxybutanoic acid
CID 62480257
2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-methylsulfanylbutanoic acid
CID 16792440
1-(3,3-dimethylbutan-2-yl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618872

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutan-2-ylcarbamoylamino)-N,N-dimethylacetamide?
The IUPAC name of 2-(3,3-dimethylbutan-2-ylcarbamoylamino)-N,N-dimethylacetamide (CID 143361850) is 2-(3,3-dimethylbutan-2-ylcarbamoylamino)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(3,3-dimethylbutan-2-ylcarbamoylamino)-N,N-dimethylacetamide?
The canonical SMILES for 2-(3,3-dimethylbutan-2-ylcarbamoylamino)-N,N-dimethylacetamide is CC(NC(=O)NCC(=O)N(C)C)C(C)(C)C.
What is the InChIKey of 2-(3,3-dimethylbutan-2-ylcarbamoylamino)-N,N-dimethylacetamide?
The InChIKey is SQDJFZXYDBCYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-8(11(2,3)4)13-10(16)12-7-9(15)14(5)6/h8H,7H2,1-6H3,(H2,12,13,16).
What are the key properties of 2-(3,3-dimethylbutan-2-ylcarbamoylamino)-N,N-dimethylacetamide?
2-(3,3-dimethylbutan-2-ylcarbamoylamino)-N,N-dimethylacetamide has a molecular weight of 229.32 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutan-2-ylcarbamoylamino)-N,N-dimethylacetamide is sourced from PubChem (CID 143361850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).