tert-butyl N-[2-[(3,4-dimethylphenoxy)carbonyl-methylamino]ethyl]-N-methylcarbamate

C18H28N2O4 — CID 170355765

IUPACtert-butyl N-[2-[(3,4-dimethylphenoxy)carbonyl-methylamino]ethyl]-N-methylcarbamate
SMILESCc1ccc(OC(=O)N(C)CCN(C)C(=O)OC(C)(C)C)cc1C
InChIInChI=1S/C18H28N2O4/c1-13-8-9-15(12-14(13)2)23-16(21)19(6)10-11-20(7)17(22)24-18(3,4)5/h8-9,12H,10-11H2,1-7H3
InChIKeyOGKVHHCYHUGVKH-UHFFFAOYSA-N
MW336.43 g/mol
LogP3.60
Rot. Bonds4

About tert-butyl N-[2-[(3,4-dimethylphenoxy)carbonyl-methylamino]ethyl]-N-methylcarbamate

tert-butyl N-[2-[(3,4-dimethylphenoxy)carbonyl-methylamino]ethyl]-N-methylcarbamate (PubChem CID 170355765) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is tert-butyl N-[2-[(3,4-dimethylphenoxy)carbonyl-methylamino]ethyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(3,4-dimethylphenoxy)carbonyl-methylamino]ethyl]-N-methylcarbamate
PubChem CID170355765
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Nametert-butyl N-[2-[(3,4-dimethylphenoxy)carbonyl-methylamino]ethyl]-N-methylcarbamate
SMILESCc1ccc(OC(=O)N(C)CCN(C)C(=O)OC(C)(C)C)cc1C
InChIInChI=1S/C18H28N2O4/c1-13-8-9-15(12-14(13)2)23-16(21)19(6)10-11-20(7)17(22)24-18(3,4)5/h8-9,12H,10-11H2,1-7H3
InChIKeyOGKVHHCYHUGVKH-UHFFFAOYSA-N
XLogP3.60
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-(4-iodoanilino)ethyl]-N-methylcarbamate
CID 118929260
[2-acetyloxy-4-[methyl-[2-[methyl-[(2-methylpropan-2-yl)oxymethyl]amino]ethyl]carbamoyl]oxyphenyl] acetate
CID 175845735
tert-butyl N-amino-N-[(3,4-dimethylphenyl)methyl]carbamate
CID 142774143
tert-butyl N-(2-aminoethyl)-N-[(3,4-dimethylphenoxy)methylcarbamoyl]carbamate
CID 108879327
tert-butyl N-methyl-N-[6-[methyl(propyl)carbamoyl]oxy-2,3-dihydro-1H-inden-1-yl]carbamate
CID 11810576
phenyl N-methyl-N-[2-[methyl(phenoxycarbonyl)amino]ethyl]carbamate
CID 124926393
[3-[2-[methyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]amino]ethoxy]phenyl] propanoate
CID 90831077
tert-butyl N-[4-(2,5-dimethylanilino)-4-oxobutyl]-N-methylcarbamate
CID 60596780
tert-butyl N-methyl-N-[2-[4-(3-methylphenoxy)phenyl]ethyl]carbamate
CID 67952576
tert-butyl N-methyl-N-[4-(2-sulfanylphenyl)butyl]carbamate
CID 91391747
tert-butyl N-[2-[4-(chloromethyl)phenoxy]ethyl]-N-methylcarbamate
CID 58870313
tert-butyl N-methyl-N-[2-(4-propan-2-ylphenoxy)ethyl]carbamate
CID 58790256

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(3,4-dimethylphenoxy)carbonyl-methylamino]ethyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-[(3,4-dimethylphenoxy)carbonyl-methylamino]ethyl]-N-methylcarbamate (CID 170355765) is tert-butyl N-[2-[(3,4-dimethylphenoxy)carbonyl-methylamino]ethyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-[(3,4-dimethylphenoxy)carbonyl-methylamino]ethyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-[(3,4-dimethylphenoxy)carbonyl-methylamino]ethyl]-N-methylcarbamate is Cc1ccc(OC(=O)N(C)CCN(C)C(=O)OC(C)(C)C)cc1C.
What is the InChIKey of tert-butyl N-[2-[(3,4-dimethylphenoxy)carbonyl-methylamino]ethyl]-N-methylcarbamate?
The InChIKey is OGKVHHCYHUGVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-13-8-9-15(12-14(13)2)23-16(21)19(6)10-11-20(7)17(22)24-18(3,4)5/h8-9,12H,10-11H2,1-7H3.
What are the key properties of tert-butyl N-[2-[(3,4-dimethylphenoxy)carbonyl-methylamino]ethyl]-N-methylcarbamate?
tert-butyl N-[2-[(3,4-dimethylphenoxy)carbonyl-methylamino]ethyl]-N-methylcarbamate has a molecular weight of 336.43 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(3,4-dimethylphenoxy)carbonyl-methylamino]ethyl]-N-methylcarbamate is sourced from PubChem (CID 170355765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).