tert-butyl N-[2-[1-[3-[4-[2-(dimethylamino)ethoxy]phenyl]propanoyl]-3,4-dihydro-2H-quinolin-3-yl]ethyl]carbamate

C29H41N3O4 — CID 146146261

IUPACtert-butyl N-[2-[1-[3-[4-[2-(dimethylamino)ethoxy]phenyl]propanoyl]-3,4-dihydro-2H-quinolin-3-yl]ethyl]carbamate
SMILESCN(C)CCOc1ccc(CCC(=O)N2CC(CCNC(=O)OC(C)(C)C)Cc3ccccc32)cc1
InChIInChI=1S/C29H41N3O4/c1-29(2,3)36-28(34)30-17-16-23-20-24-8-6-7-9-26(24)32(21-23)27(33)15-12-22-10-13-25(14-11-22)35-19-18-31(4)5/h6-11,13-14,23H,12,15-21H2,1-5H3,(H,30,34)
InChIKeyVIIFOTIAXUFOIQ-UHFFFAOYSA-N
MW495.66 g/mol
LogP4.68
Rot. Bonds10

About tert-butyl N-[2-[1-[3-[4-[2-(dimethylamino)ethoxy]phenyl]propanoyl]-3,4-dihydro-2H-quinolin-3-yl]ethyl]carbamate

tert-butyl N-[2-[1-[3-[4-[2-(dimethylamino)ethoxy]phenyl]propanoyl]-3,4-dihydro-2H-quinolin-3-yl]ethyl]carbamate (PubChem CID 146146261) has the molecular formula C29H41N3O4 and a molecular weight of 495.66 g/mol. Its IUPAC name is tert-butyl N-[2-[1-[3-[4-[2-(dimethylamino)ethoxy]phenyl]propanoyl]-3,4-dihydro-2H-quinolin-3-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[1-[3-[4-[2-(dimethylamino)ethoxy]phenyl]propanoyl]-3,4-dihydro-2H-quinolin-3-yl]ethyl]carbamate
PubChem CID146146261
Molecular FormulaC29H41N3O4
Molecular Weight495.66 g/mol
Exact Mass495.31
IUPAC Nametert-butyl N-[2-[1-[3-[4-[2-(dimethylamino)ethoxy]phenyl]propanoyl]-3,4-dihydro-2H-quinolin-3-yl]ethyl]carbamate
SMILESCN(C)CCOc1ccc(CCC(=O)N2CC(CCNC(=O)OC(C)(C)C)Cc3ccccc32)cc1
InChIInChI=1S/C29H41N3O4/c1-29(2,3)36-28(34)30-17-16-23-20-24-8-6-7-9-26(24)32(21-23)27(33)15-12-22-10-13-25(14-11-22)35-19-18-31(4)5/h6-11,13-14,23H,12,15-21H2,1-5H3,(H,30,34)
InChIKeyVIIFOTIAXUFOIQ-UHFFFAOYSA-N
XLogP4.68
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.66
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[1-[3-[4-[2-(dimethylamino)ethoxy]phenyl]propanoyl]-3,4-dihydro-2H-quinolin-3-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[1-[3-[4-[2-(dimethylamino)ethoxy]phenyl]propanoyl]-3,4-dihydro-2H-quinolin-3-yl]ethyl]carbamate (CID 146146261) is tert-butyl N-[2-[1-[3-[4-[2-(dimethylamino)ethoxy]phenyl]propanoyl]-3,4-dihydro-2H-quinolin-3-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[1-[3-[4-[2-(dimethylamino)ethoxy]phenyl]propanoyl]-3,4-dihydro-2H-quinolin-3-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[1-[3-[4-[2-(dimethylamino)ethoxy]phenyl]propanoyl]-3,4-dihydro-2H-quinolin-3-yl]ethyl]carbamate is CN(C)CCOc1ccc(CCC(=O)N2CC(CCNC(=O)OC(C)(C)C)Cc3ccccc32)cc1.
What is the InChIKey of tert-butyl N-[2-[1-[3-[4-[2-(dimethylamino)ethoxy]phenyl]propanoyl]-3,4-dihydro-2H-quinolin-3-yl]ethyl]carbamate?
The InChIKey is VIIFOTIAXUFOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41N3O4/c1-29(2,3)36-28(34)30-17-16-23-20-24-8-6-7-9-26(24)32(21-23)27(33)15-12-22-10-13-25(14-11-22)35-19-18-31(4)5/h6-11,13-14,23H,12,15-21H2,1-5H3,(H,30,34).
What are the key properties of tert-butyl N-[2-[1-[3-[4-[2-(dimethylamino)ethoxy]phenyl]propanoyl]-3,4-dihydro-2H-quinolin-3-yl]ethyl]carbamate?
tert-butyl N-[2-[1-[3-[4-[2-(dimethylamino)ethoxy]phenyl]propanoyl]-3,4-dihydro-2H-quinolin-3-yl]ethyl]carbamate has a molecular weight of 495.66 g/mol, XLogP of 4.68, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[1-[3-[4-[2-(dimethylamino)ethoxy]phenyl]propanoyl]-3,4-dihydro-2H-quinolin-3-yl]ethyl]carbamate is sourced from PubChem (CID 146146261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).