tert-butyl N-[2-(5-chloro-1H-indol-3-yl)-2-methylpropyl]carbamate

C17H23ClN2O2 — CID 113084309

IUPACtert-butyl N-[2-(5-chloro-1H-indol-3-yl)-2-methylpropyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(C)(C)c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C17H23ClN2O2/c1-16(2,3)22-15(21)20-10-17(4,5)13-9-19-14-7-6-11(18)8-12(13)14/h6-9,19H,10H2,1-5H3,(H,20,21)
InChIKeyMGPXGKRQXDWKFK-UHFFFAOYSA-N
MW322.84 g/mol
LogP4.62
Rot. Bonds3

About tert-butyl N-[2-(5-chloro-1H-indol-3-yl)-2-methylpropyl]carbamate

tert-butyl N-[2-(5-chloro-1H-indol-3-yl)-2-methylpropyl]carbamate (PubChem CID 113084309) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is tert-butyl N-[2-(5-chloro-1H-indol-3-yl)-2-methylpropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(5-chloro-1H-indol-3-yl)-2-methylpropyl]carbamate
PubChem CID113084309
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC Nametert-butyl N-[2-(5-chloro-1H-indol-3-yl)-2-methylpropyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(C)(C)c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C17H23ClN2O2/c1-16(2,3)22-15(21)20-10-17(4,5)13-9-19-14-7-6-11(18)8-12(13)14/h6-9,19H,10H2,1-5H3,(H,20,21)
InChIKeyMGPXGKRQXDWKFK-UHFFFAOYSA-N
XLogP4.62
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[(5-chloro-1H-indol-3-yl)methyl]carbamate
CID 71299888
N-[2-(5-chloro-1H-indol-3-yl)-2-methylpropyl]-2-thiophen-2-ylacetamide
CID 113084290
3-chloro-N-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]benzamide
CID 113084202
N-[2-(5-chloro-1H-indol-3-yl)-2-methylpropyl]-4-fluorobenzenesulfonamide
CID 113084321
N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]-2-(4-methoxyphenyl)acetamide
CID 113084367
2-(5-chloro-1H-indol-3-yl)-2-methyl-N-[(3-methylphenyl)methyl]propanamide
CID 113210043
[4-chloro-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid
CID 59463172
N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]cyclopropanecarboxamide
CID 113084339
N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]benzamide
CID 113084348
N-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]-2-(3-fluorophenyl)acetamide
CID 113084215
2-(5-chloro-1H-indol-3-yl)-N-(2-methoxyethyl)-2-oxoacetamide
CID 113208212
methyl N-[2-[2-(5-chloro-1H-indol-3-yl)ethylamino]-2-oxoethyl]carbamate
CID 71994383

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(5-chloro-1H-indol-3-yl)-2-methylpropyl]carbamate?
The IUPAC name of tert-butyl N-[2-(5-chloro-1H-indol-3-yl)-2-methylpropyl]carbamate (CID 113084309) is tert-butyl N-[2-(5-chloro-1H-indol-3-yl)-2-methylpropyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(5-chloro-1H-indol-3-yl)-2-methylpropyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(5-chloro-1H-indol-3-yl)-2-methylpropyl]carbamate is CC(C)(C)OC(=O)NCC(C)(C)c1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of tert-butyl N-[2-(5-chloro-1H-indol-3-yl)-2-methylpropyl]carbamate?
The InChIKey is MGPXGKRQXDWKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c1-16(2,3)22-15(21)20-10-17(4,5)13-9-19-14-7-6-11(18)8-12(13)14/h6-9,19H,10H2,1-5H3,(H,20,21).
What are the key properties of tert-butyl N-[2-(5-chloro-1H-indol-3-yl)-2-methylpropyl]carbamate?
tert-butyl N-[2-(5-chloro-1H-indol-3-yl)-2-methylpropyl]carbamate has a molecular weight of 322.84 g/mol, XLogP of 4.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(5-chloro-1H-indol-3-yl)-2-methylpropyl]carbamate is sourced from PubChem (CID 113084309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).