tert-butyl N-benzoyl-N-(1,2,3,4-tetrahydroquinolin-3-yl)carbamate

C21H24N2O3 — CID 90698838

IUPACtert-butyl N-benzoyl-N-(1,2,3,4-tetrahydroquinolin-3-yl)carbamate
SMILESCC(C)(C)OC(=O)N(C(=O)c1ccccc1)C1CNc2ccccc2C1
InChIInChI=1S/C21H24N2O3/c1-21(2,3)26-20(25)23(19(24)15-9-5-4-6-10-15)17-13-16-11-7-8-12-18(16)22-14-17/h4-12,17,22H,13-14H2,1-3H3
InChIKeyNAKRJOIMEMRLCC-UHFFFAOYSA-N
MW352.43 g/mol
LogP4.10
Rot. Bonds2

About tert-butyl N-benzoyl-N-(1,2,3,4-tetrahydroquinolin-3-yl)carbamate

tert-butyl N-benzoyl-N-(1,2,3,4-tetrahydroquinolin-3-yl)carbamate (PubChem CID 90698838) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is tert-butyl N-benzoyl-N-(1,2,3,4-tetrahydroquinolin-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-benzoyl-N-(1,2,3,4-tetrahydroquinolin-3-yl)carbamate
PubChem CID90698838
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Nametert-butyl N-benzoyl-N-(1,2,3,4-tetrahydroquinolin-3-yl)carbamate
SMILESCC(C)(C)OC(=O)N(C(=O)c1ccccc1)C1CNc2ccccc2C1
InChIInChI=1S/C21H24N2O3/c1-21(2,3)26-20(25)23(19(24)15-9-5-4-6-10-15)17-13-16-11-7-8-12-18(16)22-14-17/h4-12,17,22H,13-14H2,1-3H3
InChIKeyNAKRJOIMEMRLCC-UHFFFAOYSA-N
XLogP4.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-hydroxy-2-methylpropan-2-yl) N-methyl-N-(1,2,3,4-tetrahydroquinolin-3-yl)carbamate
CID 175939172
tert-butyl N-[(2R)-2,3-dihydro-1H-indole-2-carbonyl]-N-piperidin-4-ylcarbamate
CID 70234918
tert-butyl N-benzoyl-N-propan-2-ylcarbamate
CID 122205870
N-cyclobutyl-N-methyl-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901759
N-cycloheptyl-N-methyl-1,2,3,4-tetrahydroquinolin-3-amine
CID 54861284
tert-butyl N-benzoyl-N-(chloroamino)carbamate
CID 86607133
2-[methyl(1,2,3,4-tetrahydroquinolin-3-yl)amino]-1-pyrrolidin-1-ylethanone
CID 61442426
tert-butyl N-[benzoyl(benzyl)amino]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 12030176
tert-butyl 2-[[(2S)-3,4-dihydro-2H-1,4-benzoxazine-2-carbonyl]amino]acetate
CID 67626027
tert-butyl N-[(4-aminophenyl)methyl]-N-(2,3-dihydro-1H-inden-2-yl)carbamate
CID 59663104
tert-butyl N-[2-[(3S)-2,3-dihydro-1H-indol-3-yl]ethyl]carbamate
CID 40546938
cyclohexyl 1,2,3,4-tetrahydroquinoline-3-carboxylate
CID 106902751

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-benzoyl-N-(1,2,3,4-tetrahydroquinolin-3-yl)carbamate?
The IUPAC name of tert-butyl N-benzoyl-N-(1,2,3,4-tetrahydroquinolin-3-yl)carbamate (CID 90698838) is tert-butyl N-benzoyl-N-(1,2,3,4-tetrahydroquinolin-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-benzoyl-N-(1,2,3,4-tetrahydroquinolin-3-yl)carbamate?
The canonical SMILES for tert-butyl N-benzoyl-N-(1,2,3,4-tetrahydroquinolin-3-yl)carbamate is CC(C)(C)OC(=O)N(C(=O)c1ccccc1)C1CNc2ccccc2C1.
What is the InChIKey of tert-butyl N-benzoyl-N-(1,2,3,4-tetrahydroquinolin-3-yl)carbamate?
The InChIKey is NAKRJOIMEMRLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-21(2,3)26-20(25)23(19(24)15-9-5-4-6-10-15)17-13-16-11-7-8-12-18(16)22-14-17/h4-12,17,22H,13-14H2,1-3H3.
What are the key properties of tert-butyl N-benzoyl-N-(1,2,3,4-tetrahydroquinolin-3-yl)carbamate?
tert-butyl N-benzoyl-N-(1,2,3,4-tetrahydroquinolin-3-yl)carbamate has a molecular weight of 352.43 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-benzoyl-N-(1,2,3,4-tetrahydroquinolin-3-yl)carbamate is sourced from PubChem (CID 90698838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).