tert-butyl N-[4-[[3,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-methylamino]-2,2-dimethylbutyl]carbamate

C23H47N3O4 — CID 139538581

IUPACtert-butyl N-[4-[[3,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-methylamino]-2,2-dimethylbutyl]carbamate
SMILESCN(CCC(C)(C)CNC(=O)OC(C)(C)C)CCC(C)(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C23H47N3O4/c1-20(2,3)29-18(27)24-16-22(7,8)12-14-26(11)15-13-23(9,10)17-25-19(28)30-21(4,5)6/h12-17H2,1-11H3,(H,24,27)(H,25,28)
InChIKeyHHPSPFMCPQBMBS-UHFFFAOYSA-N
MW429.65 g/mol
LogP4.80
Rot. Bonds10

About tert-butyl N-[4-[[3,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-methylamino]-2,2-dimethylbutyl]carbamate

tert-butyl N-[4-[[3,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-methylamino]-2,2-dimethylbutyl]carbamate (PubChem CID 139538581) has the molecular formula C23H47N3O4 and a molecular weight of 429.65 g/mol. Its IUPAC name is tert-butyl N-[4-[[3,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-methylamino]-2,2-dimethylbutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[[3,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-methylamino]-2,2-dimethylbutyl]carbamate
PubChem CID139538581
Molecular FormulaC23H47N3O4
Molecular Weight429.65 g/mol
Exact Mass429.36
IUPAC Nametert-butyl N-[4-[[3,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-methylamino]-2,2-dimethylbutyl]carbamate
SMILESCN(CCC(C)(C)CNC(=O)OC(C)(C)C)CCC(C)(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C23H47N3O4/c1-20(2,3)29-18(27)24-16-22(7,8)12-14-26(11)15-13-23(9,10)17-25-19(28)30-21(4,5)6/h12-17H2,1-11H3,(H,24,27)(H,25,28)
InChIKeyHHPSPFMCPQBMBS-UHFFFAOYSA-N
XLogP4.80
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.65
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[4-[[3,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-methylamino]-2,2-dimethylbutyl]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

tert-butyl N-[3-(dimethylamino)-2,2-dimethylpropyl]carbamate
CID 65142819
tert-butyl N-(3-amino-2,2-dimethylpropyl)carbamate
CID 4114359
tert-butyl N-[3-[(2-chloroacetyl)-methylamino]-2,2-dimethylpropyl]carbamate
CID 135138778
tert-butyl N-[2-[2-methoxyethyl(methyl)amino]ethyl]carbamate
CID 65142937
tert-butyl N-[3-[2-ethoxyethyl(methyl)amino]-2-hydroxy-2-methylpropyl]carbamate
CID 122141631
tert-butyl N-[2-[4-hydroxybutyl(methyl)amino]ethyl]carbamate
CID 177165285
2-[3-[methyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]propanoyloxy]ethyl 3-[methyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]propanoate
CID 168851314
tert-butyl N-[3-(azetidin-3-yl)-2,2-dimethylpropyl]carbamate
CID 154577118
tert-butyl N-(2-methyl-2-sulfanylpropyl)carbamate
CID 45092056
tert-butyl N-(2,2-difluoro-3-oxobutyl)carbamate
CID 129292881
tert-butyl N-[2-(aminomethyl)-2-methylpentyl]carbamate
CID 84726317
tert-butyl N-[3-(2-hydroxy-2-methylpropoxy)-2,2-dimethylpropyl]carbamate
CID 123711756

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[[3,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-methylamino]-2,2-dimethylbutyl]carbamate?
The IUPAC name of tert-butyl N-[4-[[3,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-methylamino]-2,2-dimethylbutyl]carbamate (CID 139538581) is tert-butyl N-[4-[[3,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-methylamino]-2,2-dimethylbutyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[[3,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-methylamino]-2,2-dimethylbutyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[[3,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-methylamino]-2,2-dimethylbutyl]carbamate is CN(CCC(C)(C)CNC(=O)OC(C)(C)C)CCC(C)(C)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-[[3,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-methylamino]-2,2-dimethylbutyl]carbamate?
The InChIKey is HHPSPFMCPQBMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H47N3O4/c1-20(2,3)29-18(27)24-16-22(7,8)12-14-26(11)15-13-23(9,10)17-25-19(28)30-21(4,5)6/h12-17H2,1-11H3,(H,24,27)(H,25,28).
What are the key properties of tert-butyl N-[4-[[3,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-methylamino]-2,2-dimethylbutyl]carbamate?
tert-butyl N-[4-[[3,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-methylamino]-2,2-dimethylbutyl]carbamate has a molecular weight of 429.65 g/mol, XLogP of 4.80, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[[3,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-methylamino]-2,2-dimethylbutyl]carbamate is sourced from PubChem (CID 139538581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).