tert-butyl N-(2-phenylmethoxy-5,6,7,8-tetrahydroquinolin-6-yl)carbamate

C21H26N2O3 — CID 169122682

IUPACtert-butyl N-(2-phenylmethoxy-5,6,7,8-tetrahydroquinolin-6-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCc2nc(OCc3ccccc3)ccc2C1
InChIInChI=1S/C21H26N2O3/c1-21(2,3)26-20(24)22-17-10-11-18-16(13-17)9-12-19(23-18)25-14-15-7-5-4-6-8-15/h4-9,12,17H,10-11,13-14H2,1-3H3,(H,22,24)
InChIKeyYECDTDXMUFFMOA-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.04
Rot. Bonds4

About tert-butyl N-(2-phenylmethoxy-5,6,7,8-tetrahydroquinolin-6-yl)carbamate

tert-butyl N-(2-phenylmethoxy-5,6,7,8-tetrahydroquinolin-6-yl)carbamate (PubChem CID 169122682) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is tert-butyl N-(2-phenylmethoxy-5,6,7,8-tetrahydroquinolin-6-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-phenylmethoxy-5,6,7,8-tetrahydroquinolin-6-yl)carbamate
PubChem CID169122682
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Nametert-butyl N-(2-phenylmethoxy-5,6,7,8-tetrahydroquinolin-6-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCc2nc(OCc3ccccc3)ccc2C1
InChIInChI=1S/C21H26N2O3/c1-21(2,3)26-20(24)22-17-10-11-18-16(13-17)9-12-19(23-18)25-14-15-7-5-4-6-8-15/h4-9,12,17H,10-11,13-14H2,1-3H3,(H,22,24)
InChIKeyYECDTDXMUFFMOA-UHFFFAOYSA-N
XLogP4.04
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(2-methoxy-5,6,7,8-tetrahydroquinolin-6-yl)carbamate
CID 46941969
benzyl 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetate
CID 23298487
tert-butyl N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
CID 129371230
tert-butyl N-[1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]piperidin-4-yl]carbamate
CID 171431395
2-[[7-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid
CID 22182086
tert-butyl N-[6-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
CID 57234940
tert-butyl N-[1-[[2-[(4-fluorobenzoyl)amino]-5,6,7,8-tetrahydroquinazolin-6-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 68679789
tert-butyl N-[4-[2-[1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]piperidin-4-yl]ethylamino]cyclohexyl]carbamate
CID 178015431
benzyl (2S,5S)-2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 118115737
tert-butyl N-[(2R,3R)-2-(2-phenylmethoxyethyl)oxolan-3-yl]carbamate;ethane
CID 143391209
benzyl (4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]azepane-1-carboxylate
CID 142005504
tert-butyl N-[4-(2,3-dihydro-1H-inden-2-ylamino)cyclohexyl]carbamate;ethane
CID 91059787

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-phenylmethoxy-5,6,7,8-tetrahydroquinolin-6-yl)carbamate?
The IUPAC name of tert-butyl N-(2-phenylmethoxy-5,6,7,8-tetrahydroquinolin-6-yl)carbamate (CID 169122682) is tert-butyl N-(2-phenylmethoxy-5,6,7,8-tetrahydroquinolin-6-yl)carbamate.
What is the SMILES notation for tert-butyl N-(2-phenylmethoxy-5,6,7,8-tetrahydroquinolin-6-yl)carbamate?
The canonical SMILES for tert-butyl N-(2-phenylmethoxy-5,6,7,8-tetrahydroquinolin-6-yl)carbamate is CC(C)(C)OC(=O)NC1CCc2nc(OCc3ccccc3)ccc2C1.
What is the InChIKey of tert-butyl N-(2-phenylmethoxy-5,6,7,8-tetrahydroquinolin-6-yl)carbamate?
The InChIKey is YECDTDXMUFFMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-21(2,3)26-20(24)22-17-10-11-18-16(13-17)9-12-19(23-18)25-14-15-7-5-4-6-8-15/h4-9,12,17H,10-11,13-14H2,1-3H3,(H,22,24).
What are the key properties of tert-butyl N-(2-phenylmethoxy-5,6,7,8-tetrahydroquinolin-6-yl)carbamate?
tert-butyl N-(2-phenylmethoxy-5,6,7,8-tetrahydroquinolin-6-yl)carbamate has a molecular weight of 354.45 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-phenylmethoxy-5,6,7,8-tetrahydroquinolin-6-yl)carbamate is sourced from PubChem (CID 169122682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).