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

C18H37N3O4 — CID 118190950

IUPACtert-butyl N-[2,4-dimethyl-3-(methylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamate
SMILESCNC(C(C)(C)NC(=O)OC(C)(C)C)C(C)(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C18H37N3O4/c1-15(2,3)24-13(22)20-17(7,8)12(19-11)18(9,10)21-14(23)25-16(4,5)6/h12,19H,1-11H3,(H,20,22)(H,21,23)
InChIKeyAWTRACZBTYEYRX-UHFFFAOYSA-N
MW359.51 g/mol
LogP3.18
Rot. Bonds5

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

tert-butyl N-[2,4-dimethyl-3-(methylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamate (PubChem CID 118190950) has the molecular formula C18H37N3O4 and a molecular weight of 359.51 g/mol. Its IUPAC name is tert-butyl N-[2,4-dimethyl-3-(methylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2,4-dimethyl-3-(methylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamate
PubChem CID118190950
Molecular FormulaC18H37N3O4
Molecular Weight359.51 g/mol
Exact Mass359.28
IUPAC Nametert-butyl N-[2,4-dimethyl-3-(methylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamate
SMILESCNC(C(C)(C)NC(=O)OC(C)(C)C)C(C)(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C18H37N3O4/c1-15(2,3)24-13(22)20-17(7,8)12(19-11)18(9,10)21-14(23)25-16(4,5)6/h12,19H,1-11H3,(H,20,22)(H,21,23)
InChIKeyAWTRACZBTYEYRX-UHFFFAOYSA-N
XLogP3.18
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

3-amino-4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 165482152
tert-butyl N-[1-bromo-1-(methylamino)ethyl]carbamate
CID 163506370
tert-butyl N-methylcarbamate;ethane
CID 142957488
tert-butyl N-[3-(hydroxymethyl)pentan-3-yl]carbamate
CID 62517962
(2R)-2-hydroxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 57066489
2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 7004985
methyl 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 15853247
tert-butyl N-(1-bromo-2,3-dimethylbutan-2-yl)carbamate
CID 130802428
tert-butyl N-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)carbamate
CID 22282534
tert-butyl N-[3,3-dimethyl-2-(methylamino)butyl]carbamate
CID 116861265
tert-butyl N-(3-ethyl-1-hydroxypentan-3-yl)carbamate
CID 131125544
tert-butyl N-bromocarbamate
CID 19029934

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2,4-dimethyl-3-(methylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[2,4-dimethyl-3-(methylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamate (CID 118190950) is tert-butyl N-[2,4-dimethyl-3-(methylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2,4-dimethyl-3-(methylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[2,4-dimethyl-3-(methylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamate is CNC(C(C)(C)NC(=O)OC(C)(C)C)C(C)(C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2,4-dimethyl-3-(methylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamate?
The InChIKey is AWTRACZBTYEYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3O4/c1-15(2,3)24-13(22)20-17(7,8)12(19-11)18(9,10)21-14(23)25-16(4,5)6/h12,19H,1-11H3,(H,20,22)(H,21,23).
What are the key properties of tert-butyl N-[2,4-dimethyl-3-(methylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamate?
tert-butyl N-[2,4-dimethyl-3-(methylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamate has a molecular weight of 359.51 g/mol, XLogP of 3.18, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2,4-dimethyl-3-(methylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamate is sourced from PubChem (CID 118190950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).