tert-butyl 4-(3,4-dihydro-2H-pyran-6-carbonylamino)-1,3-dihydroisoindole-2-carboxylate

C19H24N2O4 — CID 126834665

IUPACtert-butyl 4-(3,4-dihydro-2H-pyran-6-carbonylamino)-1,3-dihydroisoindole-2-carboxylate
SMILESCC(C)(C)OC(=O)N1Cc2cccc(NC(=O)C3=CCCCO3)c2C1
InChIInChI=1S/C19H24N2O4/c1-19(2,3)25-18(23)21-11-13-7-6-8-15(14(13)12-21)20-17(22)16-9-4-5-10-24-16/h6-9H,4-5,10-12H2,1-3H3,(H,20,22)
InChIKeyHCATZUUGLHMTLT-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.57
Rot. Bonds2

About tert-butyl 4-(3,4-dihydro-2H-pyran-6-carbonylamino)-1,3-dihydroisoindole-2-carboxylate

tert-butyl 4-(3,4-dihydro-2H-pyran-6-carbonylamino)-1,3-dihydroisoindole-2-carboxylate (PubChem CID 126834665) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is tert-butyl 4-(3,4-dihydro-2H-pyran-6-carbonylamino)-1,3-dihydroisoindole-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3,4-dihydro-2H-pyran-6-carbonylamino)-1,3-dihydroisoindole-2-carboxylate
PubChem CID126834665
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Nametert-butyl 4-(3,4-dihydro-2H-pyran-6-carbonylamino)-1,3-dihydroisoindole-2-carboxylate
SMILESCC(C)(C)OC(=O)N1Cc2cccc(NC(=O)C3=CCCCO3)c2C1
InChIInChI=1S/C19H24N2O4/c1-19(2,3)25-18(23)21-11-13-7-6-8-15(14(13)12-21)20-17(22)16-9-4-5-10-24-16/h6-9H,4-5,10-12H2,1-3H3,(H,20,22)
InChIKeyHCATZUUGLHMTLT-UHFFFAOYSA-N
XLogP3.57
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-(3,4-dihydro-2H-pyran-6-carbonylamino)-1,3-dihydroisoindole-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 4-(1,3-oxazole-4-carbonylamino)-1,3-dihydroisoindole-2-carboxylate
CID 154766005
tert-butyl 4-(benzylamino)-1,3-dihydroisoindole-2-carboxylate
CID 172613733
2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dihydroisoindole-4-carboxylic acid
CID 57415656
tert-butyl 4-[(3-hydroxy-2-methoxypropyl)amino]-1,3-dihydroisoindole-2-carboxylate
CID 174916758
tert-butyl 9-(pyrrolidine-1-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxylate
CID 68578725
tert-butyl 8-(3-methylbutan-2-ylamino)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 107255122
N-(2-morpholin-4-ylphenyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 100904524
tert-butyl 4-(piperidin-4-ylidenemethyl)-1,3-dihydroisoindole-2-carboxylate
CID 177221301
tert-butyl 4-[2-(hydroxymethyl)phenyl]-1,3-dihydroisoindole-2-carboxylate
CID 172876025
tert-butyl 8-(pentan-3-ylamino)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 107255117
tert-butyl 5-(phenylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 58064572
tert-butyl 5-[(3-methylcyclobutyl)amino]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 107251517

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3,4-dihydro-2H-pyran-6-carbonylamino)-1,3-dihydroisoindole-2-carboxylate?
The IUPAC name of tert-butyl 4-(3,4-dihydro-2H-pyran-6-carbonylamino)-1,3-dihydroisoindole-2-carboxylate (CID 126834665) is tert-butyl 4-(3,4-dihydro-2H-pyran-6-carbonylamino)-1,3-dihydroisoindole-2-carboxylate.
What is the SMILES notation for tert-butyl 4-(3,4-dihydro-2H-pyran-6-carbonylamino)-1,3-dihydroisoindole-2-carboxylate?
The canonical SMILES for tert-butyl 4-(3,4-dihydro-2H-pyran-6-carbonylamino)-1,3-dihydroisoindole-2-carboxylate is CC(C)(C)OC(=O)N1Cc2cccc(NC(=O)C3=CCCCO3)c2C1.
What is the InChIKey of tert-butyl 4-(3,4-dihydro-2H-pyran-6-carbonylamino)-1,3-dihydroisoindole-2-carboxylate?
The InChIKey is HCATZUUGLHMTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-19(2,3)25-18(23)21-11-13-7-6-8-15(14(13)12-21)20-17(22)16-9-4-5-10-24-16/h6-9H,4-5,10-12H2,1-3H3,(H,20,22).
What are the key properties of tert-butyl 4-(3,4-dihydro-2H-pyran-6-carbonylamino)-1,3-dihydroisoindole-2-carboxylate?
tert-butyl 4-(3,4-dihydro-2H-pyran-6-carbonylamino)-1,3-dihydroisoindole-2-carboxylate has a molecular weight of 344.41 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3,4-dihydro-2H-pyran-6-carbonylamino)-1,3-dihydroisoindole-2-carboxylate is sourced from PubChem (CID 126834665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).