tert-butyl N-[4-(3,5-dimethylanilino)butyl]carbamate

C17H28N2O2 — CID 101399946

IUPACtert-butyl N-[4-(3,5-dimethylanilino)butyl]carbamate
SMILESCc1cc(C)cc(NCCCCNC(=O)OC(C)(C)C)c1
InChIInChI=1S/C17H28N2O2/c1-13-10-14(2)12-15(11-13)18-8-6-7-9-19-16(20)21-17(3,4)5/h10-12,18H,6-9H2,1-5H3,(H,19,20)
InChIKeyILCXLPDVIHPNFS-UHFFFAOYSA-N
MW292.42 g/mol
LogP4.02
Rot. Bonds6

About tert-butyl N-[4-(3,5-dimethylanilino)butyl]carbamate

tert-butyl N-[4-(3,5-dimethylanilino)butyl]carbamate (PubChem CID 101399946) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is tert-butyl N-[4-(3,5-dimethylanilino)butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(3,5-dimethylanilino)butyl]carbamate
PubChem CID101399946
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Nametert-butyl N-[4-(3,5-dimethylanilino)butyl]carbamate
SMILESCc1cc(C)cc(NCCCCNC(=O)OC(C)(C)C)c1
InChIInChI=1S/C17H28N2O2/c1-13-10-14(2)12-15(11-13)18-8-6-7-9-19-16(20)21-17(3,4)5/h10-12,18H,6-9H2,1-5H3,(H,19,20)
InChIKeyILCXLPDVIHPNFS-UHFFFAOYSA-N
XLogP4.02
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[3-(3-bromo-4-fluoroanilino)propyl]carbamate
CID 104776214
tert-butyl N-(3,5-dimethylphenyl)carbamate;ethane
CID 143766104
tert-butyl N-[2-(3,5-dimethylanilino)propyl]carbamate
CID 103387276
tert-butyl N-[3-(5-bromo-4-fluoro-2-methylanilino)propyl]carbamate
CID 107591546
tert-butyl N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]propyl]carbamate
CID 115611755
tert-butyl N-[3-(4-methyl-3-sulfamoylanilino)propyl]carbamate
CID 103821639
tert-butyl N-[2-[[3-methyl-5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamoyl]benzoyl]amino]ethyl]carbamate
CID 144646246
tert-butyl N-[3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 123753749
tert-butyl N-(12-bromododecyl)carbamate
CID 4206147
tert-butyl N-[3-[4-bromo-3-(trifluoromethyl)anilino]propyl]carbamate
CID 103821698
tert-butyl N-[3-(3-sulfanylanilino)propyl]carbamate
CID 163658111
tert-butyl N-[6-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylamino]hexyl]carbamate
CID 15570048

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(3,5-dimethylanilino)butyl]carbamate?
The IUPAC name of tert-butyl N-[4-(3,5-dimethylanilino)butyl]carbamate (CID 101399946) is tert-butyl N-[4-(3,5-dimethylanilino)butyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(3,5-dimethylanilino)butyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(3,5-dimethylanilino)butyl]carbamate is Cc1cc(C)cc(NCCCCNC(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl N-[4-(3,5-dimethylanilino)butyl]carbamate?
The InChIKey is ILCXLPDVIHPNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-13-10-14(2)12-15(11-13)18-8-6-7-9-19-16(20)21-17(3,4)5/h10-12,18H,6-9H2,1-5H3,(H,19,20).
What are the key properties of tert-butyl N-[4-(3,5-dimethylanilino)butyl]carbamate?
tert-butyl N-[4-(3,5-dimethylanilino)butyl]carbamate has a molecular weight of 292.42 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(3,5-dimethylanilino)butyl]carbamate is sourced from PubChem (CID 101399946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).