tert-butyl N-[1-(2,3-dimethylanilino)hexan-2-yl]carbamate

C19H32N2O2 — CID 22464370

IUPACtert-butyl N-[1-(2,3-dimethylanilino)hexan-2-yl]carbamate
SMILESCCCCC(CNc1cccc(C)c1C)NC(=O)OC(C)(C)C
InChIInChI=1S/C19H32N2O2/c1-7-8-11-16(21-18(22)23-19(4,5)6)13-20-17-12-9-10-14(2)15(17)3/h9-10,12,16,20H,7-8,11,13H2,1-6H3,(H,21,22)
InChIKeyADQCHZRAISAVTI-UHFFFAOYSA-N
MW320.48 g/mol
LogP4.80
Rot. Bonds7

About tert-butyl N-[1-(2,3-dimethylanilino)hexan-2-yl]carbamate

tert-butyl N-[1-(2,3-dimethylanilino)hexan-2-yl]carbamate (PubChem CID 22464370) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is tert-butyl N-[1-(2,3-dimethylanilino)hexan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(2,3-dimethylanilino)hexan-2-yl]carbamate
PubChem CID22464370
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Nametert-butyl N-[1-(2,3-dimethylanilino)hexan-2-yl]carbamate
SMILESCCCCC(CNc1cccc(C)c1C)NC(=O)OC(C)(C)C
InChIInChI=1S/C19H32N2O2/c1-7-8-11-16(21-18(22)23-19(4,5)6)13-20-17-12-9-10-14(2)15(17)3/h9-10,12,16,20H,7-8,11,13H2,1-6H3,(H,21,22)
InChIKeyADQCHZRAISAVTI-UHFFFAOYSA-N
XLogP4.80
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-decan-5-ylcarbamate
CID 174754300
tert-butyl N-[2-(2,3-dimethylanilino)propyl]carbamate
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tert-butyl N-[(2R)-1-phenylmethoxyhexan-2-yl]carbamate
CID 130835886
tert-butyl N-(3,3-dideuteriooctan-4-yl)carbamate
CID 175838428
[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoheptyl] 2,6-dimethylbenzoate
CID 154941116
tert-butyl N-[2-(2,3-dimethylanilino)-2-oxoethyl]carbamate
CID 23200830
tert-butyl N-(1-hydroxy-1-phenyloctan-3-yl)carbamate
CID 101411554
tert-butyl N-[(2R)-1-hydroxyoctadecan-2-yl]carbamate
CID 101217988
tert-butyl N-[5-amino-1-[butyl-[1-(2,3-dimethylphenyl)-2-(2-methylanilino)-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]carbamate
CID 18064320
methyl 3-(2,3-dimethylanilino)-2-methylpropanoate
CID 43538570
2-(2,3-dimethylanilino)-N-(3-methylbutan-2-yl)acetamide
CID 60683498
tert-butyl N-[2-(butylamino)hexyl]carbamate
CID 107256535

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(2,3-dimethylanilino)hexan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(2,3-dimethylanilino)hexan-2-yl]carbamate (CID 22464370) is tert-butyl N-[1-(2,3-dimethylanilino)hexan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(2,3-dimethylanilino)hexan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(2,3-dimethylanilino)hexan-2-yl]carbamate is CCCCC(CNc1cccc(C)c1C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-(2,3-dimethylanilino)hexan-2-yl]carbamate?
The InChIKey is ADQCHZRAISAVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-7-8-11-16(21-18(22)23-19(4,5)6)13-20-17-12-9-10-14(2)15(17)3/h9-10,12,16,20H,7-8,11,13H2,1-6H3,(H,21,22).
What are the key properties of tert-butyl N-[1-(2,3-dimethylanilino)hexan-2-yl]carbamate?
tert-butyl N-[1-(2,3-dimethylanilino)hexan-2-yl]carbamate has a molecular weight of 320.48 g/mol, XLogP of 4.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(2,3-dimethylanilino)hexan-2-yl]carbamate is sourced from PubChem (CID 22464370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).