tert-butyl N-[[2-(2-ethylbutylamino)phenyl]methyl]-N-methylcarbamate

C19H32N2O2 — CID 107242386

IUPACtert-butyl N-[[2-(2-ethylbutylamino)phenyl]methyl]-N-methylcarbamate
SMILESCCC(CC)CNc1ccccc1CN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C19H32N2O2/c1-7-15(8-2)13-20-17-12-10-9-11-16(17)14-21(6)18(22)23-19(3,4)5/h9-12,15,20H,7-8,13-14H2,1-6H3
InChIKeyOLZPDKDOWCGIPD-UHFFFAOYSA-N
MW320.48 g/mol
LogP4.90
Rot. Bonds7

About tert-butyl N-[[2-(2-ethylbutylamino)phenyl]methyl]-N-methylcarbamate

tert-butyl N-[[2-(2-ethylbutylamino)phenyl]methyl]-N-methylcarbamate (PubChem CID 107242386) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is tert-butyl N-[[2-(2-ethylbutylamino)phenyl]methyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-(2-ethylbutylamino)phenyl]methyl]-N-methylcarbamate
PubChem CID107242386
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Nametert-butyl N-[[2-(2-ethylbutylamino)phenyl]methyl]-N-methylcarbamate
SMILESCCC(CC)CNc1ccccc1CN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C19H32N2O2/c1-7-15(8-2)13-20-17-12-10-9-11-16(17)14-21(6)18(22)23-19(3,4)5/h9-12,15,20H,7-8,13-14H2,1-6H3
InChIKeyOLZPDKDOWCGIPD-UHFFFAOYSA-N
XLogP4.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[[2-(2,4-dimethylpentylamino)phenyl]methyl]-N-methylcarbamate
CID 114200705
tert-butyl N-[[2-(3-methoxybutan-2-ylamino)phenyl]methyl]-N-methylcarbamate
CID 103936279
2-[2-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]anilino]propanoic acid
CID 107242371
tert-butyl N-[[2-[(3-hydroxy-3-methylbutan-2-yl)amino]phenyl]methyl]-N-methylcarbamate
CID 107242385
tert-butyl N-methyl-N-[[2-(4-methylpentanoylamino)phenyl]methyl]carbamate
CID 60595393
tert-butyl N-methyl-N-[[2-(1,3-thiazol-5-ylmethylamino)phenyl]methyl]carbamate
CID 103818744
tert-butyl N-methyl-N-[[2-(oxolan-3-ylamino)phenyl]methyl]carbamate
CID 103892825
tert-butyl N-methyl-N-[[2-[[2-(9-oxoacridin-10-yl)acetyl]amino]phenyl]methyl]carbamate
CID 47082214
N-[[2-[(3-methoxy-2-methylpropyl)amino]phenyl]methyl]-N-methylacetamide
CID 116500960
tert-butyl N-[[2-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]phenyl]methyl]-N-methylcarbamate
CID 86853941
tert-butyl N-[(3-amino-2-hydroxyphenyl)methyl]-N-methylcarbamate
CID 169243691
2-[acetyl-[[2-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]methyl]amino]acetic acid
CID 158273995

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-(2-ethylbutylamino)phenyl]methyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[[2-(2-ethylbutylamino)phenyl]methyl]-N-methylcarbamate (CID 107242386) is tert-butyl N-[[2-(2-ethylbutylamino)phenyl]methyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[[2-(2-ethylbutylamino)phenyl]methyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[[2-(2-ethylbutylamino)phenyl]methyl]-N-methylcarbamate is CCC(CC)CNc1ccccc1CN(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[2-(2-ethylbutylamino)phenyl]methyl]-N-methylcarbamate?
The InChIKey is OLZPDKDOWCGIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-7-15(8-2)13-20-17-12-10-9-11-16(17)14-21(6)18(22)23-19(3,4)5/h9-12,15,20H,7-8,13-14H2,1-6H3.
What are the key properties of tert-butyl N-[[2-(2-ethylbutylamino)phenyl]methyl]-N-methylcarbamate?
tert-butyl N-[[2-(2-ethylbutylamino)phenyl]methyl]-N-methylcarbamate has a molecular weight of 320.48 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-(2-ethylbutylamino)phenyl]methyl]-N-methylcarbamate is sourced from PubChem (CID 107242386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).