N-butan-2-yl-2-[[2-(tert-butylamino)-2-oxoethyl]amino]acetamide

C12H25N3O2 — CID 113219551

IUPACN-butan-2-yl-2-[[2-(tert-butylamino)-2-oxoethyl]amino]acetamide
SMILESCCC(C)NC(=O)CNCC(=O)NC(C)(C)C
InChIInChI=1S/C12H25N3O2/c1-6-9(2)14-10(16)7-13-8-11(17)15-12(3,4)5/h9,13H,6-8H2,1-5H3,(H,14,16)(H,15,17)
InChIKeyHUGQLDAATMWFLS-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.41
Rot. Bonds6

About N-butan-2-yl-2-[[2-(tert-butylamino)-2-oxoethyl]amino]acetamide

N-butan-2-yl-2-[[2-(tert-butylamino)-2-oxoethyl]amino]acetamide (PubChem CID 113219551) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-butan-2-yl-2-[[2-(tert-butylamino)-2-oxoethyl]amino]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[[2-(tert-butylamino)-2-oxoethyl]amino]acetamide
PubChem CID113219551
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC NameN-butan-2-yl-2-[[2-(tert-butylamino)-2-oxoethyl]amino]acetamide
SMILESCCC(C)NC(=O)CNCC(=O)NC(C)(C)C
InChIInChI=1S/C12H25N3O2/c1-6-9(2)14-10(16)7-13-8-11(17)15-12(3,4)5/h9,13H,6-8H2,1-5H3,(H,14,16)(H,15,17)
InChIKeyHUGQLDAATMWFLS-UHFFFAOYSA-N
XLogP0.41
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-2-(2,2-dimethylbutylamino)acetamide
CID 103461294
ethyl 2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]acetate
CID 60811242
N-tert-butyl-2-(2-hydroxybutylamino)acetamide
CID 115356599
4-[[2-(butan-2-ylamino)-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54834741
N-butan-2-yl-2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]acetamide
CID 43179646
propan-2-yl 2-[[2-(tert-butylamino)-2-oxoethyl]amino]acetate
CID 115356445
N-butan-2-yl-2-(octylamino)acetamide
CID 78914360
N-butan-2-yl-2-[2-(dimethylamino)ethylamino]acetamide
CID 43180189
ethyl 3-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-methylpropanoate
CID 115356417
N-butan-2-yl-2-(3-methylsulfanylpropylamino)acetamide
CID 63964905
N-benzyl-2-[[2-(butan-2-ylamino)-2-oxoethyl]amino]acetamide
CID 60971680
N-tert-butyl-2-(1-hydroxypropan-2-ylamino)acetamide
CID 43499899

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[[2-(tert-butylamino)-2-oxoethyl]amino]acetamide?
The IUPAC name of N-butan-2-yl-2-[[2-(tert-butylamino)-2-oxoethyl]amino]acetamide (CID 113219551) is N-butan-2-yl-2-[[2-(tert-butylamino)-2-oxoethyl]amino]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[[2-(tert-butylamino)-2-oxoethyl]amino]acetamide?
The canonical SMILES for N-butan-2-yl-2-[[2-(tert-butylamino)-2-oxoethyl]amino]acetamide is CCC(C)NC(=O)CNCC(=O)NC(C)(C)C.
What is the InChIKey of N-butan-2-yl-2-[[2-(tert-butylamino)-2-oxoethyl]amino]acetamide?
The InChIKey is HUGQLDAATMWFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-6-9(2)14-10(16)7-13-8-11(17)15-12(3,4)5/h9,13H,6-8H2,1-5H3,(H,14,16)(H,15,17).
What are the key properties of N-butan-2-yl-2-[[2-(tert-butylamino)-2-oxoethyl]amino]acetamide?
N-butan-2-yl-2-[[2-(tert-butylamino)-2-oxoethyl]amino]acetamide has a molecular weight of 243.35 g/mol, XLogP of 0.41, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[[2-(tert-butylamino)-2-oxoethyl]amino]acetamide is sourced from PubChem (CID 113219551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).