tert-butyl N-(6-methyl-5-phenylmethoxy-3-pyridinyl)carbamate

C18H22N2O3 — CID 166524697

IUPACtert-butyl N-(6-methyl-5-phenylmethoxy-3-pyridinyl)carbamate
SMILESCc1ncc(NC(=O)OC(C)(C)C)cc1OCc1ccccc1
InChIInChI=1S/C18H22N2O3/c1-13-16(22-12-14-8-6-5-7-9-14)10-15(11-19-13)20-17(21)23-18(2,3)4/h5-11H,12H2,1-4H3,(H,20,21)
InChIKeyLNZWNGGXVKZCII-UHFFFAOYSA-N
MW314.38 g/mol
LogP4.32
Rot. Bonds4

About tert-butyl N-(6-methyl-5-phenylmethoxy-3-pyridinyl)carbamate

tert-butyl N-(6-methyl-5-phenylmethoxy-3-pyridinyl)carbamate (PubChem CID 166524697) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is tert-butyl N-(6-methyl-5-phenylmethoxy-3-pyridinyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(6-methyl-5-phenylmethoxy-3-pyridinyl)carbamate
PubChem CID166524697
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Nametert-butyl N-(6-methyl-5-phenylmethoxy-3-pyridinyl)carbamate
SMILESCc1ncc(NC(=O)OC(C)(C)C)cc1OCc1ccccc1
InChIInChI=1S/C18H22N2O3/c1-13-16(22-12-14-8-6-5-7-9-14)10-15(11-19-13)20-17(21)23-18(2,3)4/h5-11H,12H2,1-4H3,(H,20,21)
InChIKeyLNZWNGGXVKZCII-UHFFFAOYSA-N
XLogP4.32
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-(6-methyl-5-phenylmethoxy-3-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-(2-methyl-7-phenylmethoxy-1,3-benzoxazol-5-yl)carbamate;ethane
CID 154664763
ethyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylmethoxypyridine-3-carboxylate
CID 71144248
3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylmethoxybenzoic acid
CID 54328163
tert-butyl N-[5-(phenylmethoxycarbamoyl)-3-pyridinyl]carbamate
CID 164753912
benzyl N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 173301676
tert-butyl N-[1-oxo-1-[(6-phenylmethoxy-3-pyridinyl)amino]propan-2-yl]carbamate
CID 55960876
butyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]-8-phenylmethoxyquinoline-3-carboxylate
CID 10765971
methyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylmethoxypyridine-2-carboxylate
CID 178148128
tert-butyl N-[3-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]carbamate
CID 75393116
benzyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylmethoxybenzoate
CID 54325649
tert-butyl N-(2-hydroxy-4-phenylmethoxyphenyl)carbamate
CID 58020516
tert-butyl N-[6-[benzyl(methyl)amino]-3-pyridinyl]carbamate
CID 113012011

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(6-methyl-5-phenylmethoxy-3-pyridinyl)carbamate?
The IUPAC name of tert-butyl N-(6-methyl-5-phenylmethoxy-3-pyridinyl)carbamate (CID 166524697) is tert-butyl N-(6-methyl-5-phenylmethoxy-3-pyridinyl)carbamate.
What is the SMILES notation for tert-butyl N-(6-methyl-5-phenylmethoxy-3-pyridinyl)carbamate?
The canonical SMILES for tert-butyl N-(6-methyl-5-phenylmethoxy-3-pyridinyl)carbamate is Cc1ncc(NC(=O)OC(C)(C)C)cc1OCc1ccccc1.
What is the InChIKey of tert-butyl N-(6-methyl-5-phenylmethoxy-3-pyridinyl)carbamate?
The InChIKey is LNZWNGGXVKZCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-13-16(22-12-14-8-6-5-7-9-14)10-15(11-19-13)20-17(21)23-18(2,3)4/h5-11H,12H2,1-4H3,(H,20,21).
What are the key properties of tert-butyl N-(6-methyl-5-phenylmethoxy-3-pyridinyl)carbamate?
tert-butyl N-(6-methyl-5-phenylmethoxy-3-pyridinyl)carbamate has a molecular weight of 314.38 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(6-methyl-5-phenylmethoxy-3-pyridinyl)carbamate is sourced from PubChem (CID 166524697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).