tert-butyl N-[[3-(dimethylamino)-5-methoxyphenyl]methyl]carbamate

C15H24N2O3 — CID 68670712

IUPACtert-butyl N-[[3-(dimethylamino)-5-methoxyphenyl]methyl]carbamate
SMILESCOc1cc(CNC(=O)OC(C)(C)C)cc(N(C)C)c1
InChIInChI=1S/C15H24N2O3/c1-15(2,3)20-14(18)16-10-11-7-12(17(4)5)9-13(8-11)19-6/h7-9H,10H2,1-6H3,(H,16,18)
InChIKeyPFWPHOIDTPMADK-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.79
Rot. Bonds4

About tert-butyl N-[[3-(dimethylamino)-5-methoxyphenyl]methyl]carbamate

tert-butyl N-[[3-(dimethylamino)-5-methoxyphenyl]methyl]carbamate (PubChem CID 68670712) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is tert-butyl N-[[3-(dimethylamino)-5-methoxyphenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[3-(dimethylamino)-5-methoxyphenyl]methyl]carbamate
PubChem CID68670712
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Nametert-butyl N-[[3-(dimethylamino)-5-methoxyphenyl]methyl]carbamate
SMILESCOc1cc(CNC(=O)OC(C)(C)C)cc(N(C)C)c1
InChIInChI=1S/C15H24N2O3/c1-15(2,3)20-14(18)16-10-11-7-12(17(4)5)9-13(8-11)19-6/h7-9H,10H2,1-6H3,(H,16,18)
InChIKeyPFWPHOIDTPMADK-UHFFFAOYSA-N
XLogP2.79
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(3,5-dimethoxyphenyl)methyl]carbamate
CID 134964726
tert-butyl N-[[3-(N'-hydroxycarbamimidoyl)-5-methoxyphenyl]methyl]carbamate
CID 158797970
tert-butyl N-[[3-[(Z)-N'-hydroxycarbamimidoyl]-5-methoxyphenyl]methyl]carbamate
CID 153291786
tert-butyl N-[[3-(hydroxymethyl)-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methyl]carbamate
CID 139721370
tert-butyl N-[[3-hydroxy-5-(trifluoromethoxy)phenyl]methyl]carbamate
CID 171365356
tert-butyl N-[(3,5-dichloro-4-hydroxyphenyl)methyl]carbamate
CID 20610080
tert-butyl N-[[3-[methyl(methylsulfonyl)amino]-5-prop-1-en-2-ylphenyl]methyl]carbamate
CID 170986090
(3,5-dimethoxyphenyl)methylcarbamic acid
CID 67370524
tert-butyl N-[2-(4-methoxy-N-methylanilino)-2-oxoethyl]carbamate
CID 118576936
tert-butyl N-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]carbamate
CID 164643510
tert-butyl N-[(3,5-diethyl-N-methylanilino)methyl]carbamate
CID 158997006
tert-butyl N-[(3-hydroxy-5-nitrophenyl)methyl]carbamate
CID 170647020

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[3-(dimethylamino)-5-methoxyphenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[3-(dimethylamino)-5-methoxyphenyl]methyl]carbamate (CID 68670712) is tert-butyl N-[[3-(dimethylamino)-5-methoxyphenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[3-(dimethylamino)-5-methoxyphenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[3-(dimethylamino)-5-methoxyphenyl]methyl]carbamate is COc1cc(CNC(=O)OC(C)(C)C)cc(N(C)C)c1.
What is the InChIKey of tert-butyl N-[[3-(dimethylamino)-5-methoxyphenyl]methyl]carbamate?
The InChIKey is PFWPHOIDTPMADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-15(2,3)20-14(18)16-10-11-7-12(17(4)5)9-13(8-11)19-6/h7-9H,10H2,1-6H3,(H,16,18).
What are the key properties of tert-butyl N-[[3-(dimethylamino)-5-methoxyphenyl]methyl]carbamate?
tert-butyl N-[[3-(dimethylamino)-5-methoxyphenyl]methyl]carbamate has a molecular weight of 280.37 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[3-(dimethylamino)-5-methoxyphenyl]methyl]carbamate is sourced from PubChem (CID 68670712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).