tert-butyl N-[(3,5-diethyl-N-methylanilino)methyl]carbamate

C17H28N2O2 — CID 158997006

IUPACtert-butyl N-[(3,5-diethyl-N-methylanilino)methyl]carbamate
SMILESCCc1cc(CC)cc(N(C)CNC(=O)OC(C)(C)C)c1
InChIInChI=1S/C17H28N2O2/c1-7-13-9-14(8-2)11-15(10-13)19(6)12-18-16(20)21-17(3,4)5/h9-11H,7-8,12H2,1-6H3,(H,18,20)
InChIKeyLYSSLIOSRDFFBL-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.73
Rot. Bonds5

About tert-butyl N-[(3,5-diethyl-N-methylanilino)methyl]carbamate

tert-butyl N-[(3,5-diethyl-N-methylanilino)methyl]carbamate (PubChem CID 158997006) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is tert-butyl N-[(3,5-diethyl-N-methylanilino)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3,5-diethyl-N-methylanilino)methyl]carbamate
PubChem CID158997006
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Nametert-butyl N-[(3,5-diethyl-N-methylanilino)methyl]carbamate
SMILESCCc1cc(CC)cc(N(C)CNC(=O)OC(C)(C)C)c1
InChIInChI=1S/C17H28N2O2/c1-7-13-9-14(8-2)11-15(10-13)19(6)12-18-16(20)21-17(3,4)5/h9-11H,7-8,12H2,1-6H3,(H,18,20)
InChIKeyLYSSLIOSRDFFBL-UHFFFAOYSA-N
XLogP3.73
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[[3-(hydroxymethyl)-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methyl]carbamate
CID 139721370
tert-butyl N-[[3-(dimethylamino)-5-methoxyphenyl]methyl]carbamate
CID 68670712
tert-butyl N-[4-amino-3-(4-ethyl-N-methylanilino)butyl]carbamate
CID 102729926
tert-butyl N-(3-ethylphenyl)-N-methylcarbamate
CID 167076497
tert-butyl N-[(5-ethylthiophen-3-yl)methyl]carbamate
CID 122608960
tert-butyl N-[2-(4-ethylanilino)-2-oxoethyl]carbamate
CID 60596094
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate;propane
CID 144755686
tert-butyl N-(3-ethyl-5-formamidophenyl)carbamate
CID 144969625
tert-butyl N-[2-[methoxy(methyl)amino]ethyl]carbamate
CID 123324286
tert-butyl N-[2-[4-(dimethylamino)anilino]ethyl]carbamate
CID 115743334
ethyl 2-methyl-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]benzoate
CID 139721385
tert-butyl N-ethylcarbamate;hydroxylamine
CID 21286916

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3,5-diethyl-N-methylanilino)methyl]carbamate?
The IUPAC name of tert-butyl N-[(3,5-diethyl-N-methylanilino)methyl]carbamate (CID 158997006) is tert-butyl N-[(3,5-diethyl-N-methylanilino)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(3,5-diethyl-N-methylanilino)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(3,5-diethyl-N-methylanilino)methyl]carbamate is CCc1cc(CC)cc(N(C)CNC(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl N-[(3,5-diethyl-N-methylanilino)methyl]carbamate?
The InChIKey is LYSSLIOSRDFFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-7-13-9-14(8-2)11-15(10-13)19(6)12-18-16(20)21-17(3,4)5/h9-11H,7-8,12H2,1-6H3,(H,18,20).
What are the key properties of tert-butyl N-[(3,5-diethyl-N-methylanilino)methyl]carbamate?
tert-butyl N-[(3,5-diethyl-N-methylanilino)methyl]carbamate has a molecular weight of 292.42 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3,5-diethyl-N-methylanilino)methyl]carbamate is sourced from PubChem (CID 158997006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).