3-(tert-butylcarbamoylamino)-3-methylbutanamide

C10H21N3O2 — CID 106096156

IUPAC3-(tert-butylcarbamoylamino)-3-methylbutanamide
SMILESCC(C)(C)NC(=O)NC(C)(C)CC(N)=O
InChIInChI=1S/C10H21N3O2/c1-9(2,3)12-8(15)13-10(4,5)6-7(11)14/h6H2,1-5H3,(H2,11,14)(H2,12,13,15)
InChIKeyNCABJGKZDKOPEF-UHFFFAOYSA-N
MW215.30 g/mol
LogP0.74
Rot. Bonds3

About 3-(tert-butylcarbamoylamino)-3-methylbutanamide

3-(tert-butylcarbamoylamino)-3-methylbutanamide (PubChem CID 106096156) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-(tert-butylcarbamoylamino)-3-methylbutanamide.

Molecular Properties

Compound Name3-(tert-butylcarbamoylamino)-3-methylbutanamide
PubChem CID106096156
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name3-(tert-butylcarbamoylamino)-3-methylbutanamide
SMILESCC(C)(C)NC(=O)NC(C)(C)CC(N)=O
InChIInChI=1S/C10H21N3O2/c1-9(2,3)12-8(15)13-10(4,5)6-7(11)14/h6H2,1-5H3,(H2,11,14)(H2,12,13,15)
InChIKeyNCABJGKZDKOPEF-UHFFFAOYSA-N
XLogP0.74
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-bromo-2-methylpropanoyl)amino]-3-methylbutanamide
CID 106096105
3-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]-2,2-dimethylpropanoic acid
CID 106097791
3-(butylcarbamoylamino)-3-methylbutanamide
CID 106096139
3-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]propanoic acid
CID 106097819
1-tert-butyl-3-(2,4,4-trimethylpentan-2-yl)urea
CID 58798763
2-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]-3-methoxypropanoic acid
CID 114143079
3-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]-2-methylbutanoic acid
CID 106097853
3-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]-4-methylbenzoic acid
CID 106097726
3-[3-(ethylamino)propanoylamino]-3-methylbutanamide
CID 106096656
3-[(N'-ethylcarbamimidoyl)amino]-3-methylbutanamide
CID 106096960
2-(aminomethyl)-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-ethylbutanamide
CID 106096112
6-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]-2-methylheptanoic acid
CID 106097783

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylcarbamoylamino)-3-methylbutanamide?
The IUPAC name of 3-(tert-butylcarbamoylamino)-3-methylbutanamide (CID 106096156) is 3-(tert-butylcarbamoylamino)-3-methylbutanamide.
What is the SMILES notation for 3-(tert-butylcarbamoylamino)-3-methylbutanamide?
The canonical SMILES for 3-(tert-butylcarbamoylamino)-3-methylbutanamide is CC(C)(C)NC(=O)NC(C)(C)CC(N)=O.
What is the InChIKey of 3-(tert-butylcarbamoylamino)-3-methylbutanamide?
The InChIKey is NCABJGKZDKOPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-9(2,3)12-8(15)13-10(4,5)6-7(11)14/h6H2,1-5H3,(H2,11,14)(H2,12,13,15).
What are the key properties of 3-(tert-butylcarbamoylamino)-3-methylbutanamide?
3-(tert-butylcarbamoylamino)-3-methylbutanamide has a molecular weight of 215.30 g/mol, XLogP of 0.74, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylcarbamoylamino)-3-methylbutanamide is sourced from PubChem (CID 106096156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).