N-tert-butyl-5-(tert-butylcarbamoylamino)-2,2,5-trimethylhexanamide

C18H37N3O2 — CID 139447381

IUPACN-tert-butyl-5-(tert-butylcarbamoylamino)-2,2,5-trimethylhexanamide
SMILESCC(C)(C)NC(=O)NC(C)(C)CCC(C)(C)C(=O)NC(C)(C)C
InChIInChI=1S/C18H37N3O2/c1-15(2,3)19-13(22)17(7,8)11-12-18(9,10)21-14(23)20-16(4,5)6/h11-12H2,1-10H3,(H,19,22)(H2,20,21,23)
InChIKeyHUOVENREZOFGEL-UHFFFAOYSA-N
MW327.51 g/mol
LogP3.58
Rot. Bonds5

About N-tert-butyl-5-(tert-butylcarbamoylamino)-2,2,5-trimethylhexanamide

N-tert-butyl-5-(tert-butylcarbamoylamino)-2,2,5-trimethylhexanamide (PubChem CID 139447381) has the molecular formula C18H37N3O2 and a molecular weight of 327.51 g/mol. Its IUPAC name is N-tert-butyl-5-(tert-butylcarbamoylamino)-2,2,5-trimethylhexanamide.

Molecular Properties

Compound NameN-tert-butyl-5-(tert-butylcarbamoylamino)-2,2,5-trimethylhexanamide
PubChem CID139447381
Molecular FormulaC18H37N3O2
Molecular Weight327.51 g/mol
Exact Mass327.29
IUPAC NameN-tert-butyl-5-(tert-butylcarbamoylamino)-2,2,5-trimethylhexanamide
SMILESCC(C)(C)NC(=O)NC(C)(C)CCC(C)(C)C(=O)NC(C)(C)C
InChIInChI=1S/C18H37N3O2/c1-15(2,3)19-13(22)17(7,8)11-12-18(9,10)21-14(23)20-16(4,5)6/h11-12H2,1-10H3,(H,19,22)(H2,20,21,23)
InChIKeyHUOVENREZOFGEL-UHFFFAOYSA-N
XLogP3.58
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.51
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze N-tert-butyl-5-(tert-butylcarbamoylamino)-2,2,5-trimethylhexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-tert-butyl-3-(2,4,4-trimethylpentan-2-yl)urea
CID 58798763
3-(tert-butylcarbamoylamino)-3-methylbutanamide
CID 106096156
[6-(tert-butylamino)-2,5,5-trimethyl-6-oxohexan-2-yl] 2-ethyl-2-methylbutanoate
CID 123518152
N-(tert-butylcarbamoyl)-2,2-dimethylpropanamide
CID 58200215
1-tert-butyl-3-(2-iodopropan-2-yl)urea
CID 130444075
3-(tert-butylcarbamoylamino)-N,2,2-trimethylpropanamide
CID 103822805
N-[1-[(4-amino-2-methylbutan-2-yl)amino]-2-methylpropan-2-yl]-2,2,5,5-tetramethylhexanamide
CID 143529197
4-methyl-4-(2,4,4-trimethylpentan-2-ylcarbamoylamino)pentanoic acid
CID 62049861
tert-butyl N-[3-methyl-3-[2-methyl-2-(2,2,5,5-tetramethylhexanoylamino)propoxy]butyl]carbamate
CID 163688917
1-tert-butyl-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea
CID 71672236
1-ethyl-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 115674453
N-(tert-butylcarbamoyl)-2-hydroxyacetamide
CID 43558926

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-(tert-butylcarbamoylamino)-2,2,5-trimethylhexanamide?
The IUPAC name of N-tert-butyl-5-(tert-butylcarbamoylamino)-2,2,5-trimethylhexanamide (CID 139447381) is N-tert-butyl-5-(tert-butylcarbamoylamino)-2,2,5-trimethylhexanamide.
What is the SMILES notation for N-tert-butyl-5-(tert-butylcarbamoylamino)-2,2,5-trimethylhexanamide?
The canonical SMILES for N-tert-butyl-5-(tert-butylcarbamoylamino)-2,2,5-trimethylhexanamide is CC(C)(C)NC(=O)NC(C)(C)CCC(C)(C)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-5-(tert-butylcarbamoylamino)-2,2,5-trimethylhexanamide?
The InChIKey is HUOVENREZOFGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3O2/c1-15(2,3)19-13(22)17(7,8)11-12-18(9,10)21-14(23)20-16(4,5)6/h11-12H2,1-10H3,(H,19,22)(H2,20,21,23).
What are the key properties of N-tert-butyl-5-(tert-butylcarbamoylamino)-2,2,5-trimethylhexanamide?
N-tert-butyl-5-(tert-butylcarbamoylamino)-2,2,5-trimethylhexanamide has a molecular weight of 327.51 g/mol, XLogP of 3.58, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-(tert-butylcarbamoylamino)-2,2,5-trimethylhexanamide is sourced from PubChem (CID 139447381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).