tert-butyl N-[(3,4-dimethoxyphenyl)methyl]-N-(4-methyl-2-pyridinyl)carbamate

C20H26N2O4 — CID 53414297

IUPACtert-butyl N-[(3,4-dimethoxyphenyl)methyl]-N-(4-methyl-2-pyridinyl)carbamate
SMILESCOc1ccc(CN(C(=O)OC(C)(C)C)c2cc(C)ccn2)cc1OC
InChIInChI=1S/C20H26N2O4/c1-14-9-10-21-18(11-14)22(19(23)26-20(2,3)4)13-15-7-8-16(24-5)17(12-15)25-6/h7-12H,13H2,1-6H3
InChIKeyIBQRKZFBCDICFL-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.35
Rot. Bonds5

About tert-butyl N-[(3,4-dimethoxyphenyl)methyl]-N-(4-methyl-2-pyridinyl)carbamate

tert-butyl N-[(3,4-dimethoxyphenyl)methyl]-N-(4-methyl-2-pyridinyl)carbamate (PubChem CID 53414297) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is tert-butyl N-[(3,4-dimethoxyphenyl)methyl]-N-(4-methyl-2-pyridinyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3,4-dimethoxyphenyl)methyl]-N-(4-methyl-2-pyridinyl)carbamate
PubChem CID53414297
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Nametert-butyl N-[(3,4-dimethoxyphenyl)methyl]-N-(4-methyl-2-pyridinyl)carbamate
SMILESCOc1ccc(CN(C(=O)OC(C)(C)C)c2cc(C)ccn2)cc1OC
InChIInChI=1S/C20H26N2O4/c1-14-9-10-21-18(11-14)22(19(23)26-20(2,3)4)13-15-7-8-16(24-5)17(12-15)25-6/h7-12H,13H2,1-6H3
InChIKeyIBQRKZFBCDICFL-UHFFFAOYSA-N
XLogP4.35
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[(3,4-dimethoxyphenyl)methyl]-N-(4-methyl-2-pyridinyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[4-(bromomethyl)-6-methyl-2-pyridinyl]-N-[(4-methoxyphenyl)methyl]carbamate
CID 135169140
methyl (2S)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(2-methylpropan-2-yl)oxycarbonyl-(4-methyl-2-pyridinyl)amino]pentanoate
CID 170537255
methyl (2S,3S)-3-methyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl-(4-methyl-2-pyridinyl)amino]butanoylamino]pentanoate
CID 142583385
(2S)-4-methyl-2-[[(E)-4-[(2-methylpropan-2-yl)oxycarbonyl-(4-methyl-2-pyridinyl)amino]but-2-enoyl]amino]pentanoic acid
CID 163819929
tert-butyl N-[(3-methylphenyl)methyl]-N-phenylcarbamate
CID 143695884
3-hydroxy-2-[4-[(2-methylpropan-2-yl)oxycarbonyl-(4-methyl-2-pyridinyl)amino]butanoylamino]propanoic acid
CID 142583155
tert-butyl N-ethyl-N-[(3-iodo-4-methoxyphenyl)methyl]carbamate
CID 169493297
tert-butyl N-[4-[[(3R)-2-cyano-4-oxoazetidin-3-yl]methyl]-2-pyridinyl]-N-[(4-methoxyphenyl)methyl]carbamate
CID 118300382
tert-butyl N-[5-[(3,4-dimethoxyanilino)methyl]-2-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 155758538
methyl 2-[(4-methoxyphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-methylpyridine-4-carboxylate
CID 135153900
tert-butyl N-(2-fluoro-4-methylphenyl)-N-(4-methyl-2-pyridinyl)carbamate
CID 91756539
tert-butyl N-(4-bromo-2-pyridinyl)-N-(2-methoxyethyl)carbamate
CID 156580264

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3,4-dimethoxyphenyl)methyl]-N-(4-methyl-2-pyridinyl)carbamate?
The IUPAC name of tert-butyl N-[(3,4-dimethoxyphenyl)methyl]-N-(4-methyl-2-pyridinyl)carbamate (CID 53414297) is tert-butyl N-[(3,4-dimethoxyphenyl)methyl]-N-(4-methyl-2-pyridinyl)carbamate.
What is the SMILES notation for tert-butyl N-[(3,4-dimethoxyphenyl)methyl]-N-(4-methyl-2-pyridinyl)carbamate?
The canonical SMILES for tert-butyl N-[(3,4-dimethoxyphenyl)methyl]-N-(4-methyl-2-pyridinyl)carbamate is COc1ccc(CN(C(=O)OC(C)(C)C)c2cc(C)ccn2)cc1OC.
What is the InChIKey of tert-butyl N-[(3,4-dimethoxyphenyl)methyl]-N-(4-methyl-2-pyridinyl)carbamate?
The InChIKey is IBQRKZFBCDICFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-14-9-10-21-18(11-14)22(19(23)26-20(2,3)4)13-15-7-8-16(24-5)17(12-15)25-6/h7-12H,13H2,1-6H3.
What are the key properties of tert-butyl N-[(3,4-dimethoxyphenyl)methyl]-N-(4-methyl-2-pyridinyl)carbamate?
tert-butyl N-[(3,4-dimethoxyphenyl)methyl]-N-(4-methyl-2-pyridinyl)carbamate has a molecular weight of 358.44 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3,4-dimethoxyphenyl)methyl]-N-(4-methyl-2-pyridinyl)carbamate is sourced from PubChem (CID 53414297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).