3-(tert-butylcarbamoylamino)-N,2,2-trimethylpropanamide

C11H23N3O2 — CID 103822805

IUPAC3-(tert-butylcarbamoylamino)-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNC(=O)NC(C)(C)C
InChIInChI=1S/C11H23N3O2/c1-10(2,3)14-9(16)13-7-11(4,5)8(15)12-6/h7H2,1-6H3,(H,12,15)(H2,13,14,16)
InChIKeyFEGSMPBSZRBWQN-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.86
Rot. Bonds3

About 3-(tert-butylcarbamoylamino)-N,2,2-trimethylpropanamide

3-(tert-butylcarbamoylamino)-N,2,2-trimethylpropanamide (PubChem CID 103822805) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 3-(tert-butylcarbamoylamino)-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-(tert-butylcarbamoylamino)-N,2,2-trimethylpropanamide
PubChem CID103822805
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name3-(tert-butylcarbamoylamino)-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNC(=O)NC(C)(C)C
InChIInChI=1S/C11H23N3O2/c1-10(2,3)14-9(16)13-7-11(4,5)8(15)12-6/h7H2,1-6H3,(H,12,15)(H2,13,14,16)
InChIKeyFEGSMPBSZRBWQN-UHFFFAOYSA-N
XLogP0.86
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N,2,2-trimethyl-3-(propylcarbamoylamino)propanamide
CID 103822806
ethyl 2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoylamino]acetate
CID 113278352
3-(2-chloropropanoylcarbamoylamino)-N,2,2-trimethylpropanamide
CID 106279493
2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoylamino]butanedioic acid
CID 106279378
4-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoylamino]pentanoic acid
CID 106279362
1-tert-butyl-3-(2-ethyl-2-hydroxybutyl)urea
CID 65113623
1-tert-butyl-3-(2-methyl-2-methylsulfanylpropyl)urea
CID 115695158
4-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-4-oxobutanoic acid
CID 106275580
3-(diethylcarbamoylamino)-N,2,2-trimethylpropanamide
CID 103824126
3-(2-aminopropanoylamino)-N,2,2-trimethylpropanamide
CID 103950826
3-[(4-aminophenyl)carbamoylamino]-N,2,2-trimethylpropanamide
CID 106278266
1-(2-amino-2-ethylbutyl)-3-tert-butylurea
CID 115305870

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylcarbamoylamino)-N,2,2-trimethylpropanamide?
The IUPAC name of 3-(tert-butylcarbamoylamino)-N,2,2-trimethylpropanamide (CID 103822805) is 3-(tert-butylcarbamoylamino)-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-(tert-butylcarbamoylamino)-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-(tert-butylcarbamoylamino)-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CNC(=O)NC(C)(C)C.
What is the InChIKey of 3-(tert-butylcarbamoylamino)-N,2,2-trimethylpropanamide?
The InChIKey is FEGSMPBSZRBWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-10(2,3)14-9(16)13-7-11(4,5)8(15)12-6/h7H2,1-6H3,(H,12,15)(H2,13,14,16).
What are the key properties of 3-(tert-butylcarbamoylamino)-N,2,2-trimethylpropanamide?
3-(tert-butylcarbamoylamino)-N,2,2-trimethylpropanamide has a molecular weight of 229.32 g/mol, XLogP of 0.86, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylcarbamoylamino)-N,2,2-trimethylpropanamide is sourced from PubChem (CID 103822805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).