tert-butyl N-[3-methyl-3-(4-methylanilino)pentyl]carbamate

C18H30N2O2 — CID 142154729

IUPACtert-butyl N-[3-methyl-3-(4-methylanilino)pentyl]carbamate
SMILESCCC(C)(CCNC(=O)OC(C)(C)C)Nc1ccc(C)cc1
InChIInChI=1S/C18H30N2O2/c1-7-18(6,20-15-10-8-14(2)9-11-15)12-13-19-16(21)22-17(3,4)5/h8-11,20H,7,12-13H2,1-6H3,(H,19,21)
InChIKeyPFRUZDADAUTYOC-UHFFFAOYSA-N
MW306.45 g/mol
LogP4.49
Rot. Bonds6

About tert-butyl N-[3-methyl-3-(4-methylanilino)pentyl]carbamate

tert-butyl N-[3-methyl-3-(4-methylanilino)pentyl]carbamate (PubChem CID 142154729) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is tert-butyl N-[3-methyl-3-(4-methylanilino)pentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-methyl-3-(4-methylanilino)pentyl]carbamate
PubChem CID142154729
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Nametert-butyl N-[3-methyl-3-(4-methylanilino)pentyl]carbamate
SMILESCCC(C)(CCNC(=O)OC(C)(C)C)Nc1ccc(C)cc1
InChIInChI=1S/C18H30N2O2/c1-7-18(6,20-15-10-8-14(2)9-11-15)12-13-19-16(21)22-17(3,4)5/h8-11,20H,7,12-13H2,1-6H3,(H,19,21)
InChIKeyPFRUZDADAUTYOC-UHFFFAOYSA-N
XLogP4.49
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-(4-methylphenyl)propyl]carbamate
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tert-butyl N-[2-(4-methylphenoxy)ethyl]carbamate;ethane
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tert-butyl N-[2-(4-methylphenyl)sulfonylethyl]carbamate
CID 67213765
tert-butyl N-[(2S)-2-[methyl-[(4-methylphenyl)carbamoyl]amino]propyl]carbamate
CID 95323148
tert-butyl N-[3-[1-(4-methylphenyl)propylamino]propyl]carbamate
CID 103781079
methyl 2-ethyl-2-(4-methylanilino)butanoate
CID 54889628
tert-butyl N-[2-(4-acetamidoanilino)ethyl]carbamate
CID 115628869
tert-butyl N-[2-(4-bromoanilino)ethyl]carbamate
CID 69234723
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 8947309
tert-butyl N-[2-(4-methoxyanilino)ethyl]carbamate
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tert-butyl N-[4-(3,5-dimethylanilino)butyl]carbamate
CID 101399946

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-methyl-3-(4-methylanilino)pentyl]carbamate?
The IUPAC name of tert-butyl N-[3-methyl-3-(4-methylanilino)pentyl]carbamate (CID 142154729) is tert-butyl N-[3-methyl-3-(4-methylanilino)pentyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-methyl-3-(4-methylanilino)pentyl]carbamate?
The canonical SMILES for tert-butyl N-[3-methyl-3-(4-methylanilino)pentyl]carbamate is CCC(C)(CCNC(=O)OC(C)(C)C)Nc1ccc(C)cc1.
What is the InChIKey of tert-butyl N-[3-methyl-3-(4-methylanilino)pentyl]carbamate?
The InChIKey is PFRUZDADAUTYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-7-18(6,20-15-10-8-14(2)9-11-15)12-13-19-16(21)22-17(3,4)5/h8-11,20H,7,12-13H2,1-6H3,(H,19,21).
What are the key properties of tert-butyl N-[3-methyl-3-(4-methylanilino)pentyl]carbamate?
tert-butyl N-[3-methyl-3-(4-methylanilino)pentyl]carbamate has a molecular weight of 306.45 g/mol, XLogP of 4.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-methyl-3-(4-methylanilino)pentyl]carbamate is sourced from PubChem (CID 142154729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).