tert-butyl N-[3-methyl-3-[2-methyl-2-(2,2,5,5-tetramethylhexanoylamino)propoxy]butyl]carbamate

C24H48N2O4 — CID 163688917

IUPACtert-butyl N-[3-methyl-3-[2-methyl-2-(2,2,5,5-tetramethylhexanoylamino)propoxy]butyl]carbamate
SMILESCC(C)(C)CCC(C)(C)C(=O)NC(C)(C)COC(C)(C)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C24H48N2O4/c1-20(2,3)13-14-22(7,8)18(27)26-23(9,10)17-29-24(11,12)15-16-25-19(28)30-21(4,5)6/h13-17H2,1-12H3,(H,25,28)(H,26,27)
InChIKeyJRHAVONFOIITGT-UHFFFAOYSA-N
MW428.66 g/mol
LogP5.44
Rot. Bonds10

About tert-butyl N-[3-methyl-3-[2-methyl-2-(2,2,5,5-tetramethylhexanoylamino)propoxy]butyl]carbamate

tert-butyl N-[3-methyl-3-[2-methyl-2-(2,2,5,5-tetramethylhexanoylamino)propoxy]butyl]carbamate (PubChem CID 163688917) has the molecular formula C24H48N2O4 and a molecular weight of 428.66 g/mol. Its IUPAC name is tert-butyl N-[3-methyl-3-[2-methyl-2-(2,2,5,5-tetramethylhexanoylamino)propoxy]butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-methyl-3-[2-methyl-2-(2,2,5,5-tetramethylhexanoylamino)propoxy]butyl]carbamate
PubChem CID163688917
Molecular FormulaC24H48N2O4
Molecular Weight428.66 g/mol
Exact Mass428.36
IUPAC Nametert-butyl N-[3-methyl-3-[2-methyl-2-(2,2,5,5-tetramethylhexanoylamino)propoxy]butyl]carbamate
SMILESCC(C)(C)CCC(C)(C)C(=O)NC(C)(C)COC(C)(C)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C24H48N2O4/c1-20(2,3)13-14-22(7,8)18(27)26-23(9,10)17-29-24(11,12)15-16-25-19(28)30-21(4,5)6/h13-17H2,1-12H3,(H,25,28)(H,26,27)
InChIKeyJRHAVONFOIITGT-UHFFFAOYSA-N
XLogP5.44
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.66
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[3-methyl-3-[2-methyl-2-(2,2,5,5-tetramethylhexanoylamino)propoxy]butyl]carbamate 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

2,2-dimethyl-4-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]oxybutanoic acid
CID 123714443
tert-butyl N-[3-(3-bromobutoxy)-3-methylbutyl]carbamate
CID 167168575
tert-butyl N-[(3-ethoxy-3-methylbutyl)amino]carbamate
CID 134511015
tert-butyl N-[4-methyl-3,3-bis[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pentyl]carbamate
CID 155196466
N-[2-(tert-butylamino)ethyl]-2,2-dimethyl-4-(2,5,5-trimethylhexan-2-yloxy)butanamide
CID 134174558
N-[2-[[2-methyl-4-[2-methyl-4-(2,2,4,4-tetramethylpentanoylamino)butan-2-yl]oxybutan-2-yl]-[3-methyl-3-[2-methyl-2-(2,2,4,4-tetramethylpentanoylamino)propoxy]butyl]amino]-2-oxoethyl]acetonitrilium
CID 172569636
tert-butyl N-(5-hydroxy-3,3-dimethylpentyl)carbamate
CID 86028262
tert-butyl N-[2-methyl-2-(2-methyl-2-sulfanylpropoxy)propyl]carbamate
CID 123396526
tert-butyl N-[2-methyl-4-[2-methyl-5-[[3-methyl-3-[3-methyl-3-(propanoylamino)butoxy]butyl]amino]-5-oxopentan-2-yl]oxybutan-2-yl]carbamate
CID 170128014
tert-butyl N-[3-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate
CID 59367237
tert-butyl N-(3,3-dihydroxypropyl)carbamate
CID 89159940
tert-butyl N-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]carbamate
CID 142165628

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-methyl-3-[2-methyl-2-(2,2,5,5-tetramethylhexanoylamino)propoxy]butyl]carbamate?
The IUPAC name of tert-butyl N-[3-methyl-3-[2-methyl-2-(2,2,5,5-tetramethylhexanoylamino)propoxy]butyl]carbamate (CID 163688917) is tert-butyl N-[3-methyl-3-[2-methyl-2-(2,2,5,5-tetramethylhexanoylamino)propoxy]butyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-methyl-3-[2-methyl-2-(2,2,5,5-tetramethylhexanoylamino)propoxy]butyl]carbamate?
The canonical SMILES for tert-butyl N-[3-methyl-3-[2-methyl-2-(2,2,5,5-tetramethylhexanoylamino)propoxy]butyl]carbamate is CC(C)(C)CCC(C)(C)C(=O)NC(C)(C)COC(C)(C)CCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-methyl-3-[2-methyl-2-(2,2,5,5-tetramethylhexanoylamino)propoxy]butyl]carbamate?
The InChIKey is JRHAVONFOIITGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48N2O4/c1-20(2,3)13-14-22(7,8)18(27)26-23(9,10)17-29-24(11,12)15-16-25-19(28)30-21(4,5)6/h13-17H2,1-12H3,(H,25,28)(H,26,27).
What are the key properties of tert-butyl N-[3-methyl-3-[2-methyl-2-(2,2,5,5-tetramethylhexanoylamino)propoxy]butyl]carbamate?
tert-butyl N-[3-methyl-3-[2-methyl-2-(2,2,5,5-tetramethylhexanoylamino)propoxy]butyl]carbamate has a molecular weight of 428.66 g/mol, XLogP of 5.44, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-methyl-3-[2-methyl-2-(2,2,5,5-tetramethylhexanoylamino)propoxy]butyl]carbamate is sourced from PubChem (CID 163688917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).