2-[(3,3-dimethyl-2-oxobutyl)-propylamino]-N,N-dimethylacetamide

C13H26N2O2 — CID 62031688

IUPAC2-[(3,3-dimethyl-2-oxobutyl)-propylamino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)CC(=O)C(C)(C)C
InChIInChI=1S/C13H26N2O2/c1-7-8-15(10-12(17)14(5)6)9-11(16)13(2,3)4/h7-10H2,1-6H3
InChIKeyKIXHWRIQUPUCTG-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.40
Rot. Bonds6

About 2-[(3,3-dimethyl-2-oxobutyl)-propylamino]-N,N-dimethylacetamide

2-[(3,3-dimethyl-2-oxobutyl)-propylamino]-N,N-dimethylacetamide (PubChem CID 62031688) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-[(3,3-dimethyl-2-oxobutyl)-propylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(3,3-dimethyl-2-oxobutyl)-propylamino]-N,N-dimethylacetamide
PubChem CID62031688
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-[(3,3-dimethyl-2-oxobutyl)-propylamino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)CC(=O)C(C)(C)C
InChIInChI=1S/C13H26N2O2/c1-7-8-15(10-12(17)14(5)6)9-11(16)13(2,3)4/h7-10H2,1-6H3
InChIKeyKIXHWRIQUPUCTG-UHFFFAOYSA-N
XLogP1.40
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[ethyl(propyl)amino]-3,3-dimethylbutan-2-one
CID 43795355
2-[3-aminopropyl(propyl)amino]-N,N-dimethylacetamide
CID 43137311
1-[2-[bis(3,3-dimethyl-2-oxobutyl)amino]ethyl-[2-[(3,3-dimethyl-2-oxobutyl)-(2-oxobutyl)amino]ethyl]amino]-3,3-dimethylbutan-2-one
CID 146264409
ethyl 5-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-4-oxopentanoate
CID 103484403
2-[2,2-dimethoxyethyl(propyl)amino]-N,N-dimethylacetamide
CID 66221703
2-[[2-(4-hydroxyphenyl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide
CID 62030928
1-[ethyl(methyl)amino]-3,3-dimethylbutan-2-one
CID 43794888
2-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl-propylamino]-N,N-dimethylacetamide;hydrochloride
CID 119930799
2-[bis(2-hydroxyethyl)amino]-N,N-dimethylacetamide
CID 60686826
3-amino-N-[2-(dimethylamino)-2-oxoethyl]-2,2,3-trimethyl-N-propylbutanamide
CID 65270059
2-[2-(tert-butylamino)ethyl-ethylamino]-N,N-dimethylacetamide
CID 107446461
[(3,3-dimethyl-2-oxobutyl)-(phosphonomethyl)amino]methylphosphonic acid
CID 58554643

Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-dimethyl-2-oxobutyl)-propylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(3,3-dimethyl-2-oxobutyl)-propylamino]-N,N-dimethylacetamide (CID 62031688) is 2-[(3,3-dimethyl-2-oxobutyl)-propylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(3,3-dimethyl-2-oxobutyl)-propylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(3,3-dimethyl-2-oxobutyl)-propylamino]-N,N-dimethylacetamide is CCCN(CC(=O)N(C)C)CC(=O)C(C)(C)C.
What is the InChIKey of 2-[(3,3-dimethyl-2-oxobutyl)-propylamino]-N,N-dimethylacetamide?
The InChIKey is KIXHWRIQUPUCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-7-8-15(10-12(17)14(5)6)9-11(16)13(2,3)4/h7-10H2,1-6H3.
What are the key properties of 2-[(3,3-dimethyl-2-oxobutyl)-propylamino]-N,N-dimethylacetamide?
2-[(3,3-dimethyl-2-oxobutyl)-propylamino]-N,N-dimethylacetamide has a molecular weight of 242.36 g/mol, XLogP of 1.40, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3-dimethyl-2-oxobutyl)-propylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 62031688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).