tert-butyl 5-[(4-methoxy-4-methylpentan-2-yl)amino]-2,3-dihydroindole-1-carboxylate

C20H32N2O3 — CID 113354038

IUPACtert-butyl 5-[(4-methoxy-4-methylpentan-2-yl)amino]-2,3-dihydroindole-1-carboxylate
SMILESCOC(C)(C)CC(C)Nc1ccc2c(c1)CCN2C(=O)OC(C)(C)C
InChIInChI=1S/C20H32N2O3/c1-14(13-20(5,6)24-7)21-16-8-9-17-15(12-16)10-11-22(17)18(23)25-19(2,3)4/h8-9,12,14,21H,10-11,13H2,1-7H3
InChIKeyUXJZUVFNMYUGNQ-UHFFFAOYSA-N
MW348.49 g/mol
LogP4.60
Rot. Bonds5

About tert-butyl 5-[(4-methoxy-4-methylpentan-2-yl)amino]-2,3-dihydroindole-1-carboxylate

tert-butyl 5-[(4-methoxy-4-methylpentan-2-yl)amino]-2,3-dihydroindole-1-carboxylate (PubChem CID 113354038) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is tert-butyl 5-[(4-methoxy-4-methylpentan-2-yl)amino]-2,3-dihydroindole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-[(4-methoxy-4-methylpentan-2-yl)amino]-2,3-dihydroindole-1-carboxylate
PubChem CID113354038
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC Nametert-butyl 5-[(4-methoxy-4-methylpentan-2-yl)amino]-2,3-dihydroindole-1-carboxylate
SMILESCOC(C)(C)CC(C)Nc1ccc2c(c1)CCN2C(=O)OC(C)(C)C
InChIInChI=1S/C20H32N2O3/c1-14(13-20(5,6)24-7)21-16-8-9-17-15(12-16)10-11-22(17)18(23)25-19(2,3)4/h8-9,12,14,21H,10-11,13H2,1-7H3
InChIKeyUXJZUVFNMYUGNQ-UHFFFAOYSA-N
XLogP4.60
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 5-(1-ethylsulfonylpropan-2-ylamino)-2,3-dihydroindole-1-carboxylate
CID 113354040
tert-butyl 5-(3-methoxybutan-2-ylamino)-2,3-dihydroindole-1-carboxylate
CID 103932189
tert-butyl 5-(hex-5-en-2-ylamino)-2,3-dihydroindole-1-carboxylate
CID 104583957
tert-butyl 6-(propan-2-ylamino)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 103747948
tert-butyl 5-(pentylamino)-2,3-dihydroindole-1-carboxylate
CID 107242303
tert-butyl 5-methoxy-2,3-dihydroindole-1-carboxylate
CID 10514762
tert-butyl 5-(1-hydroxypropan-2-yl)-2,3-dihydroindole-1-carboxylate
CID 117444696
tert-butyl 5-methyl-2,3-dihydroindole-1-carboxylate
CID 10657293
tert-butyl 5-[hydroxy(methoxy)methyl]-2,3-dihydroindole-1-carboxylate
CID 142313343
tert-butyl 7-(1,1-difluoropropan-2-ylamino)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 107248618
tert-butyl 5-[(3-methylcyclopentyl)amino]-2,3-dihydroindole-1-carboxylate
CID 107242335
tert-butyl 5-(aminomethyl)-2,3-dihydroindole-1-carboxylate;hydrochloride
CID 178200769

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-[(4-methoxy-4-methylpentan-2-yl)amino]-2,3-dihydroindole-1-carboxylate?
The IUPAC name of tert-butyl 5-[(4-methoxy-4-methylpentan-2-yl)amino]-2,3-dihydroindole-1-carboxylate (CID 113354038) is tert-butyl 5-[(4-methoxy-4-methylpentan-2-yl)amino]-2,3-dihydroindole-1-carboxylate.
What is the SMILES notation for tert-butyl 5-[(4-methoxy-4-methylpentan-2-yl)amino]-2,3-dihydroindole-1-carboxylate?
The canonical SMILES for tert-butyl 5-[(4-methoxy-4-methylpentan-2-yl)amino]-2,3-dihydroindole-1-carboxylate is COC(C)(C)CC(C)Nc1ccc2c(c1)CCN2C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 5-[(4-methoxy-4-methylpentan-2-yl)amino]-2,3-dihydroindole-1-carboxylate?
The InChIKey is UXJZUVFNMYUGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-14(13-20(5,6)24-7)21-16-8-9-17-15(12-16)10-11-22(17)18(23)25-19(2,3)4/h8-9,12,14,21H,10-11,13H2,1-7H3.
What are the key properties of tert-butyl 5-[(4-methoxy-4-methylpentan-2-yl)amino]-2,3-dihydroindole-1-carboxylate?
tert-butyl 5-[(4-methoxy-4-methylpentan-2-yl)amino]-2,3-dihydroindole-1-carboxylate has a molecular weight of 348.49 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-[(4-methoxy-4-methylpentan-2-yl)amino]-2,3-dihydroindole-1-carboxylate is sourced from PubChem (CID 113354038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).