tert-butyl N-[3-[(6-chloro-2-oxo-1,3-dihydroindol-5-yl)amino]propyl]carbamate

C16H22ClN3O3 — CID 103821736

IUPACtert-butyl N-[3-[(6-chloro-2-oxo-1,3-dihydroindol-5-yl)amino]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCNc1cc2c(cc1Cl)NC(=O)C2
InChIInChI=1S/C16H22ClN3O3/c1-16(2,3)23-15(22)19-6-4-5-18-13-7-10-8-14(21)20-12(10)9-11(13)17/h7,9,18H,4-6,8H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyOOVXKZPTRQNPLC-UHFFFAOYSA-N
MW339.82 g/mol
LogP3.16
Rot. Bonds5

About tert-butyl N-[3-[(6-chloro-2-oxo-1,3-dihydroindol-5-yl)amino]propyl]carbamate

tert-butyl N-[3-[(6-chloro-2-oxo-1,3-dihydroindol-5-yl)amino]propyl]carbamate (PubChem CID 103821736) has the molecular formula C16H22ClN3O3 and a molecular weight of 339.82 g/mol. Its IUPAC name is tert-butyl N-[3-[(6-chloro-2-oxo-1,3-dihydroindol-5-yl)amino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(6-chloro-2-oxo-1,3-dihydroindol-5-yl)amino]propyl]carbamate
PubChem CID103821736
Molecular FormulaC16H22ClN3O3
Molecular Weight339.82 g/mol
Exact Mass339.13
IUPAC Nametert-butyl N-[3-[(6-chloro-2-oxo-1,3-dihydroindol-5-yl)amino]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCNc1cc2c(cc1Cl)NC(=O)C2
InChIInChI=1S/C16H22ClN3O3/c1-16(2,3)23-15(22)19-6-4-5-18-13-7-10-8-14(21)20-12(10)9-11(13)17/h7,9,18H,4-6,8H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyOOVXKZPTRQNPLC-UHFFFAOYSA-N
XLogP3.16
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(tert-butylamino)-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)propanamide
CID 60849399
tert-butyl N-[3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]propyl]carbamate
CID 103821832
tert-butyl N-[3-(4-amino-2,6-dichloroanilino)propyl]carbamate
CID 106890847
tert-butyl N-[3-(5-chloro-2,4-dimethoxyanilino)propyl]carbamate
CID 103821609
6-chloro-5-[(4-chlorophenyl)methylamino]-1,3-dihydroindol-2-one
CID 43691683
tert-butyl N-[3-(4-chloro-2-iodoanilino)propyl]carbamate
CID 107632277
tert-butyl N-[3-[3-chloro-4-(methanesulfonamido)anilino]propyl]carbamate
CID 113269164
2-(azetidin-3-yl)-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)propanamide
CID 116675395
tert-butyl N-[2-oxo-2-[4-[(2-oxo-1,3-dihydroindol-5-yl)oxy]anilino]ethyl]carbamate
CID 71213219
tert-butyl N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]ethyl]carbamate
CID 103817909
6-chloro-5-[(3-methoxycyclobutyl)amino]-1,3-dihydroindol-2-one
CID 106821342
tert-butyl N-[[2-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-5-yl]methyl]carbamate
CID 126719799

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(6-chloro-2-oxo-1,3-dihydroindol-5-yl)amino]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(6-chloro-2-oxo-1,3-dihydroindol-5-yl)amino]propyl]carbamate (CID 103821736) is tert-butyl N-[3-[(6-chloro-2-oxo-1,3-dihydroindol-5-yl)amino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(6-chloro-2-oxo-1,3-dihydroindol-5-yl)amino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(6-chloro-2-oxo-1,3-dihydroindol-5-yl)amino]propyl]carbamate is CC(C)(C)OC(=O)NCCCNc1cc2c(cc1Cl)NC(=O)C2.
What is the InChIKey of tert-butyl N-[3-[(6-chloro-2-oxo-1,3-dihydroindol-5-yl)amino]propyl]carbamate?
The InChIKey is OOVXKZPTRQNPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O3/c1-16(2,3)23-15(22)19-6-4-5-18-13-7-10-8-14(21)20-12(10)9-11(13)17/h7,9,18H,4-6,8H2,1-3H3,(H,19,22)(H,20,21).
What are the key properties of tert-butyl N-[3-[(6-chloro-2-oxo-1,3-dihydroindol-5-yl)amino]propyl]carbamate?
tert-butyl N-[3-[(6-chloro-2-oxo-1,3-dihydroindol-5-yl)amino]propyl]carbamate has a molecular weight of 339.82 g/mol, XLogP of 3.16, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(6-chloro-2-oxo-1,3-dihydroindol-5-yl)amino]propyl]carbamate is sourced from PubChem (CID 103821736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).