tert-butyl N-[2-(6-chloro-3-methyl-1-propan-2-ylindol-2-yl)ethyl]carbamate

C19H27ClN2O2 — CID 141316173

IUPACtert-butyl N-[2-(6-chloro-3-methyl-1-propan-2-ylindol-2-yl)ethyl]carbamate
SMILESCc1c(CCNC(=O)OC(C)(C)C)n(C(C)C)c2cc(Cl)ccc12
InChIInChI=1S/C19H27ClN2O2/c1-12(2)22-16(9-10-21-18(23)24-19(4,5)6)13(3)15-8-7-14(20)11-17(15)22/h7-8,11-12H,9-10H2,1-6H3,(H,21,23)
InChIKeyCZKKOECEUQKOIZ-UHFFFAOYSA-N
MW350.89 g/mol
LogP5.25
Rot. Bonds4

About tert-butyl N-[2-(6-chloro-3-methyl-1-propan-2-ylindol-2-yl)ethyl]carbamate

tert-butyl N-[2-(6-chloro-3-methyl-1-propan-2-ylindol-2-yl)ethyl]carbamate (PubChem CID 141316173) has the molecular formula C19H27ClN2O2 and a molecular weight of 350.89 g/mol. Its IUPAC name is tert-butyl N-[2-(6-chloro-3-methyl-1-propan-2-ylindol-2-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(6-chloro-3-methyl-1-propan-2-ylindol-2-yl)ethyl]carbamate
PubChem CID141316173
Molecular FormulaC19H27ClN2O2
Molecular Weight350.89 g/mol
Exact Mass350.18
IUPAC Nametert-butyl N-[2-(6-chloro-3-methyl-1-propan-2-ylindol-2-yl)ethyl]carbamate
SMILESCc1c(CCNC(=O)OC(C)(C)C)n(C(C)C)c2cc(Cl)ccc12
InChIInChI=1S/C19H27ClN2O2/c1-12(2)22-16(9-10-21-18(23)24-19(4,5)6)13(3)15-8-7-14(20)11-17(15)22/h7-8,11-12H,9-10H2,1-6H3,(H,21,23)
InChIKeyCZKKOECEUQKOIZ-UHFFFAOYSA-N
XLogP5.25
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.89
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6-chloro-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]acetamide
CID 10827392
Tert-butyl 3-[[(4-chlorophenyl)carbamothioylamino]methyl]indole-1-carboxylate
CID 72204766
tert-butyl N-[2-(5-chloro-1H-indol-3-yl)-2-(hydroxyamino)ethyl]carbamate
CID 54582767
tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-chloro-1H-indol-3-yl)ethyl]carbamate
CID 54584699
tert-butyl N-[2-(6-chloro-1H-indol-3-yl)-2-(hydroxyamino)ethyl]carbamate
CID 54585673
Carbazole, 2-chloro-9-(2-dimethylaminoethyl)-, hydrochloride
CID 38977
Carbazole, 2-chloro-9-(3-dimethylaminopropyl)-, oxalate
CID 38981
Ethyl 3-[1-[(4-chlorophenyl)methylamino]but-3-enyl]indole-1-carboxylate
CID 24204946
3-(2-acetyl-8-chloro-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-methylpropanamide
CID 76310338
2-(2-acetyl-8-chloro-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-methylacetamide
CID 76314006
tert-butyl N-[1-[(4-chlorophenyl)methyl]indol-2-yl]carbamate
CID 155514687
methyl N-[2-[2-[C-(4-chlorophenyl)-N-methylcarbonimidoyl]-1H-indol-3-yl]ethyl]carbamate
CID 155517000

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(6-chloro-3-methyl-1-propan-2-ylindol-2-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(6-chloro-3-methyl-1-propan-2-ylindol-2-yl)ethyl]carbamate (CID 141316173) is tert-butyl N-[2-(6-chloro-3-methyl-1-propan-2-ylindol-2-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(6-chloro-3-methyl-1-propan-2-ylindol-2-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(6-chloro-3-methyl-1-propan-2-ylindol-2-yl)ethyl]carbamate is Cc1c(CCNC(=O)OC(C)(C)C)n(C(C)C)c2cc(Cl)ccc12.
What is the InChIKey of tert-butyl N-[2-(6-chloro-3-methyl-1-propan-2-ylindol-2-yl)ethyl]carbamate?
The InChIKey is CZKKOECEUQKOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O2/c1-12(2)22-16(9-10-21-18(23)24-19(4,5)6)13(3)15-8-7-14(20)11-17(15)22/h7-8,11-12H,9-10H2,1-6H3,(H,21,23).
What are the key properties of tert-butyl N-[2-(6-chloro-3-methyl-1-propan-2-ylindol-2-yl)ethyl]carbamate?
tert-butyl N-[2-(6-chloro-3-methyl-1-propan-2-ylindol-2-yl)ethyl]carbamate has a molecular weight of 350.89 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(6-chloro-3-methyl-1-propan-2-ylindol-2-yl)ethyl]carbamate is sourced from PubChem (CID 141316173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).