tert-butyl 4,4,7-trimethyl-1,3-dihydro-[1]benzofuro[2,3-c]pyridine-2-carboxylate

C19H25NO3 — CID 123396624

IUPACtert-butyl 4,4,7-trimethyl-1,3-dihydro-[1]benzofuro[2,3-c]pyridine-2-carboxylate
SMILESCc1ccc2c3c(oc2c1)CN(C(=O)OC(C)(C)C)CC3(C)C
InChIInChI=1S/C19H25NO3/c1-12-7-8-13-14(9-12)22-15-10-20(11-19(5,6)16(13)15)17(21)23-18(2,3)4/h7-9H,10-11H2,1-6H3
InChIKeyBXJAOUZTDGKQBK-UHFFFAOYSA-N
MW315.41 g/mol
LogP4.77
Rot. Bonds

About tert-butyl 4,4,7-trimethyl-1,3-dihydro-[1]benzofuro[2,3-c]pyridine-2-carboxylate

tert-butyl 4,4,7-trimethyl-1,3-dihydro-[1]benzofuro[2,3-c]pyridine-2-carboxylate (PubChem CID 123396624) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is tert-butyl 4,4,7-trimethyl-1,3-dihydro-[1]benzofuro[2,3-c]pyridine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 4,4,7-trimethyl-1,3-dihydro-[1]benzofuro[2,3-c]pyridine-2-carboxylate
PubChem CID123396624
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Nametert-butyl 4,4,7-trimethyl-1,3-dihydro-[1]benzofuro[2,3-c]pyridine-2-carboxylate
SMILESCc1ccc2c3c(oc2c1)CN(C(=O)OC(C)(C)C)CC3(C)C
InChIInChI=1S/C19H25NO3/c1-12-7-8-13-14(9-12)22-15-10-20(11-19(5,6)16(13)15)17(21)23-18(2,3)4/h7-9H,10-11H2,1-6H3
InChIKeyBXJAOUZTDGKQBK-UHFFFAOYSA-N
XLogP4.77
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl 4,4,7-trimethyl-1,3-dihydro-[1]benzofuro[2,3-c]pyridine-2-carboxylate 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 7-amino-5-ethyl-4,4-dimethyl-1,3-dihydroisoquinoline-2-carboxylate
CID 170903137
tert-butyl 7-bromo-4,4-dimethyl-1,3-dihydroisoquinoline-2-carboxylate
CID 22626861
tert-butyl 8-amino-4,4-dimethyl-1,3-dihydroisoquinoline-2-carboxylate
CID 121283517
tert-butyl 2,2-dimethyl-6-methylidene-1,4-oxazepane-4-carboxylate
CID 89172844
tert-butyl 4-(3,5-dimethyl-1-benzofuran-2-carbonyl)-1,4-diazepane-1-carboxylate
CID 95752677
tert-butyl 4,4-dimethyl-3,5-dihydro-1H-2-benzazepine-2-carboxylate
CID 126754124
tert-butyl 2,2-dimethyl-6-propan-2-ylmorpholine-4-carboxylate
CID 171593485
tert-butyl (2S)-6-methyl-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxylate
CID 125451955
tert-butyl 4-(2-amino-5-methylphenyl)piperidine-1-carboxylate
CID 172675049
1-bromo-3-methylbenzene;tert-butyl morpholine-4-carboxylate
CID 171499341
tert-butyl 3-ethyl-3-[(3-methylphenyl)methoxy]pyrrolidine-1-carboxylate
CID 103916082
tert-butyl 7-iodo-1,1-dimethyl-3,4-dihydro-[1]benzofuro[2,3-c]pyridine-2-carboxylate
CID 67324040

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4,4,7-trimethyl-1,3-dihydro-[1]benzofuro[2,3-c]pyridine-2-carboxylate?
The IUPAC name of tert-butyl 4,4,7-trimethyl-1,3-dihydro-[1]benzofuro[2,3-c]pyridine-2-carboxylate (CID 123396624) is tert-butyl 4,4,7-trimethyl-1,3-dihydro-[1]benzofuro[2,3-c]pyridine-2-carboxylate.
What is the SMILES notation for tert-butyl 4,4,7-trimethyl-1,3-dihydro-[1]benzofuro[2,3-c]pyridine-2-carboxylate?
The canonical SMILES for tert-butyl 4,4,7-trimethyl-1,3-dihydro-[1]benzofuro[2,3-c]pyridine-2-carboxylate is Cc1ccc2c3c(oc2c1)CN(C(=O)OC(C)(C)C)CC3(C)C.
What is the InChIKey of tert-butyl 4,4,7-trimethyl-1,3-dihydro-[1]benzofuro[2,3-c]pyridine-2-carboxylate?
The InChIKey is BXJAOUZTDGKQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-12-7-8-13-14(9-12)22-15-10-20(11-19(5,6)16(13)15)17(21)23-18(2,3)4/h7-9H,10-11H2,1-6H3.
What are the key properties of tert-butyl 4,4,7-trimethyl-1,3-dihydro-[1]benzofuro[2,3-c]pyridine-2-carboxylate?
tert-butyl 4,4,7-trimethyl-1,3-dihydro-[1]benzofuro[2,3-c]pyridine-2-carboxylate has a molecular weight of 315.41 g/mol, XLogP of 4.77, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4,4,7-trimethyl-1,3-dihydro-[1]benzofuro[2,3-c]pyridine-2-carboxylate is sourced from PubChem (CID 123396624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).