tert-butyl N-[1-[3-(3,6-difluorocarbazol-9-yl)propylamino]propan-2-yl]carbamate

C23H29F2N3O2 — CID 144944403

IUPACtert-butyl N-[1-[3-(3,6-difluorocarbazol-9-yl)propylamino]propan-2-yl]carbamate
SMILESCC(CNCCCn1c2ccc(F)cc2c2cc(F)ccc21)NC(=O)OC(C)(C)C
InChIInChI=1S/C23H29F2N3O2/c1-15(27-22(29)30-23(2,3)4)14-26-10-5-11-28-20-8-6-16(24)12-18(20)19-13-17(25)7-9-21(19)28/h6-9,12-13,15,26H,5,10-11,14H2,1-4H3,(H,27,29)
InChIKeyUGNPGAPWCWHYGG-UHFFFAOYSA-N
MW417.50 g/mol
LogP4.97
Rot. Bonds7

About tert-butyl N-[1-[3-(3,6-difluorocarbazol-9-yl)propylamino]propan-2-yl]carbamate

tert-butyl N-[1-[3-(3,6-difluorocarbazol-9-yl)propylamino]propan-2-yl]carbamate (PubChem CID 144944403) has the molecular formula C23H29F2N3O2 and a molecular weight of 417.50 g/mol. Its IUPAC name is tert-butyl N-[1-[3-(3,6-difluorocarbazol-9-yl)propylamino]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[3-(3,6-difluorocarbazol-9-yl)propylamino]propan-2-yl]carbamate
PubChem CID144944403
Molecular FormulaC23H29F2N3O2
Molecular Weight417.50 g/mol
Exact Mass417.22
IUPAC Nametert-butyl N-[1-[3-(3,6-difluorocarbazol-9-yl)propylamino]propan-2-yl]carbamate
SMILESCC(CNCCCn1c2ccc(F)cc2c2cc(F)ccc21)NC(=O)OC(C)(C)C
InChIInChI=1S/C23H29F2N3O2/c1-15(27-22(29)30-23(2,3)4)14-26-10-5-11-28-20-8-6-16(24)12-18(20)19-13-17(25)7-9-21(19)28/h6-9,12-13,15,26H,5,10-11,14H2,1-4H3,(H,27,29)
InChIKeyUGNPGAPWCWHYGG-UHFFFAOYSA-N
XLogP4.97
TPSA55.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.50
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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tert-butyl N-[3-(2,7-dibromocarbazol-9-yl)propyl]carbamate
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tert-butyl N-[1-[[3-(difluoromethyl)phenyl]methylamino]propan-2-yl]carbamate
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CID 58075986
tert-butyl N-[(2S)-1-(3-ethyl-6-fluoroindazol-1-yl)propan-2-yl]carbamate
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tert-butyl N-[1-[(1-methylbenzimidazol-2-yl)methylamino]propan-2-yl]carbamate
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tert-butyl N-[2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]propyl]carbamate
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tert-butyl N-[(1R)-1-(5-fluoro-1-oxidopyridin-1-ium-2-yl)ethyl]carbamate
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tert-butyl N-[(2S)-4-[5-fluoro-2-(2-hydroxyethoxy)phenyl]butan-2-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[3-(3,6-difluorocarbazol-9-yl)propylamino]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[3-(3,6-difluorocarbazol-9-yl)propylamino]propan-2-yl]carbamate (CID 144944403) is tert-butyl N-[1-[3-(3,6-difluorocarbazol-9-yl)propylamino]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[3-(3,6-difluorocarbazol-9-yl)propylamino]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[3-(3,6-difluorocarbazol-9-yl)propylamino]propan-2-yl]carbamate is CC(CNCCCn1c2ccc(F)cc2c2cc(F)ccc21)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-[3-(3,6-difluorocarbazol-9-yl)propylamino]propan-2-yl]carbamate?
The InChIKey is UGNPGAPWCWHYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F2N3O2/c1-15(27-22(29)30-23(2,3)4)14-26-10-5-11-28-20-8-6-16(24)12-18(20)19-13-17(25)7-9-21(19)28/h6-9,12-13,15,26H,5,10-11,14H2,1-4H3,(H,27,29).
What are the key properties of tert-butyl N-[1-[3-(3,6-difluorocarbazol-9-yl)propylamino]propan-2-yl]carbamate?
tert-butyl N-[1-[3-(3,6-difluorocarbazol-9-yl)propylamino]propan-2-yl]carbamate has a molecular weight of 417.50 g/mol, XLogP of 4.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[3-(3,6-difluorocarbazol-9-yl)propylamino]propan-2-yl]carbamate is sourced from PubChem (CID 144944403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).