tert-butyl N-methyl-N-(1-pyridin-4-ylethyl)carbamate

C13H20N2O2 — CID 63789575

IUPACtert-butyl N-methyl-N-(1-pyridin-4-ylethyl)carbamate
SMILESCC(c1ccncc1)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C13H20N2O2/c1-10(11-6-8-14-9-7-11)15(5)12(16)17-13(2,3)4/h6-10H,1-5H3
InChIKeyRCBZAAIGLJEVKX-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.01
Rot. Bonds2

About tert-butyl N-methyl-N-(1-pyridin-4-ylethyl)carbamate

tert-butyl N-methyl-N-(1-pyridin-4-ylethyl)carbamate (PubChem CID 63789575) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is tert-butyl N-methyl-N-(1-pyridin-4-ylethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-(1-pyridin-4-ylethyl)carbamate
PubChem CID63789575
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Nametert-butyl N-methyl-N-(1-pyridin-4-ylethyl)carbamate
SMILESCC(c1ccncc1)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C13H20N2O2/c1-10(11-6-8-14-9-7-11)15(5)12(16)17-13(2,3)4/h6-10H,1-5H3
InChIKeyRCBZAAIGLJEVKX-UHFFFAOYSA-N
XLogP3.01
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-methyl-N-(1-pyridin-4-ylethyl)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-[(1S)-1-(4-ethenylphenyl)ethyl]-N-methylcarbamate
CID 143714683
(2S)-2-amino-N,3,3-trimethyl-N-(1-pyridin-4-ylethyl)butanamide
CID 61163259
tert-butyl N-methyl-N-[2-(1-pyridin-4-ylethylamino)ethyl]carbamate
CID 103882830
3-chloro-N,2,2-trimethyl-N-(1-pyridin-4-ylethyl)propanamide
CID 63665480
tert-butyl N-[1-(3,4-difluorophenyl)ethyl]-N-methylcarbamate
CID 63788322
2-methyl-4-[methyl(1-pyridin-4-ylethyl)amino]-4-oxo-2-propan-2-ylbutanoic acid
CID 60950477
2-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide
CID 60964247
2-amino-N,2-dimethyl-N-(1-pyridin-4-ylethyl)butanamide
CID 79804986
(2R)-2-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide;hydrochloride
CID 120872784
tert-butyl 2-amino-3-hydroxy-3-pyridin-4-ylpropanoate
CID 165488428
2-amino-N,2-dimethyl-N-(1-pyridin-4-ylethyl)pentanamide
CID 54874185
tert-butyl N-acetyl-N-pyridin-4-ylcarbamate
CID 69108647

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-(1-pyridin-4-ylethyl)carbamate?
The IUPAC name of tert-butyl N-methyl-N-(1-pyridin-4-ylethyl)carbamate (CID 63789575) is tert-butyl N-methyl-N-(1-pyridin-4-ylethyl)carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-(1-pyridin-4-ylethyl)carbamate?
The canonical SMILES for tert-butyl N-methyl-N-(1-pyridin-4-ylethyl)carbamate is CC(c1ccncc1)N(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-(1-pyridin-4-ylethyl)carbamate?
The InChIKey is RCBZAAIGLJEVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(11-6-8-14-9-7-11)15(5)12(16)17-13(2,3)4/h6-10H,1-5H3.
What are the key properties of tert-butyl N-methyl-N-(1-pyridin-4-ylethyl)carbamate?
tert-butyl N-methyl-N-(1-pyridin-4-ylethyl)carbamate has a molecular weight of 236.31 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-(1-pyridin-4-ylethyl)carbamate is sourced from PubChem (CID 63789575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).