benzyl N-(1-phenyl-2-quinolin-2-ylethyl)carbamate

C25H22N2O2 — CID 175293947

IUPACbenzyl N-(1-phenyl-2-quinolin-2-ylethyl)carbamate
SMILESO=C(NC(Cc1ccc2ccccc2n1)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C25H22N2O2/c28-25(29-18-19-9-3-1-4-10-19)27-24(20-11-5-2-6-12-20)17-22-16-15-21-13-7-8-14-23(21)26-22/h1-16,24H,17-18H2,(H,27,28)
InChIKeyIMMDVXXAWJSKSY-UHFFFAOYSA-N
MW382.46 g/mol
LogP5.45
Rot. Bonds6

About benzyl N-(1-phenyl-2-quinolin-2-ylethyl)carbamate

benzyl N-(1-phenyl-2-quinolin-2-ylethyl)carbamate (PubChem CID 175293947) has the molecular formula C25H22N2O2 and a molecular weight of 382.46 g/mol. Its IUPAC name is benzyl N-(1-phenyl-2-quinolin-2-ylethyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(1-phenyl-2-quinolin-2-ylethyl)carbamate
PubChem CID175293947
Molecular FormulaC25H22N2O2
Molecular Weight382.46 g/mol
Exact Mass382.17
IUPAC Namebenzyl N-(1-phenyl-2-quinolin-2-ylethyl)carbamate
SMILESO=C(NC(Cc1ccc2ccccc2n1)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C25H22N2O2/c28-25(29-18-19-9-3-1-4-10-19)27-24(20-11-5-2-6-12-20)17-22-16-15-21-13-7-8-14-23(21)26-22/h1-16,24H,17-18H2,(H,27,28)
InChIKeyIMMDVXXAWJSKSY-UHFFFAOYSA-N
XLogP5.45
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.46
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylpropyl N-(1-phenyl-2-quinolin-2-ylethyl)carbamate
CID 175293953
benzyl N-[(1R)-2-amino-1-phenylethyl]carbamate
CID 11011061
benzyl N-[(1S)-2-amino-1-phenylethyl]carbamate
CID 44607655
N-[(1R)-1-(4-methoxyphenyl)-2-quinolin-2-ylethyl]acetamide
CID 130474047
benzyl N-[1-(4-oxo-3,1-benzoxazin-2-yl)-2-phenylethyl]carbamate
CID 100978788
benzyl N-(1-phenylbutyl)carbamate
CID 101400436
methyl (3R)-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate
CID 11833969
N-(1-phenyl-3-quinolin-2-ylpropan-2-yl)acetamide
CID 130455232
benzyl N-(4-chloro-3-oxo-1-phenylbutyl)carbamate;1,3-dichloropropan-2-one
CID 157156097
N-[1-(3,5-dimethylphenyl)-2-quinolin-2-ylethyl]acetamide
CID 139579549
(3S)-2,2-dimethyl-3-phenyl-3-(phenylmethoxycarbonylamino)propanoic acid
CID 124868117
(2S)-2-phenyl-2-(phenylmethoxycarbonylamino)acetic acid
CID 819214

Frequently Asked Questions

What is the IUPAC name of benzyl N-(1-phenyl-2-quinolin-2-ylethyl)carbamate?
The IUPAC name of benzyl N-(1-phenyl-2-quinolin-2-ylethyl)carbamate (CID 175293947) is benzyl N-(1-phenyl-2-quinolin-2-ylethyl)carbamate.
What is the SMILES notation for benzyl N-(1-phenyl-2-quinolin-2-ylethyl)carbamate?
The canonical SMILES for benzyl N-(1-phenyl-2-quinolin-2-ylethyl)carbamate is O=C(NC(Cc1ccc2ccccc2n1)c1ccccc1)OCc1ccccc1.
What is the InChIKey of benzyl N-(1-phenyl-2-quinolin-2-ylethyl)carbamate?
The InChIKey is IMMDVXXAWJSKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O2/c28-25(29-18-19-9-3-1-4-10-19)27-24(20-11-5-2-6-12-20)17-22-16-15-21-13-7-8-14-23(21)26-22/h1-16,24H,17-18H2,(H,27,28).
What are the key properties of benzyl N-(1-phenyl-2-quinolin-2-ylethyl)carbamate?
benzyl N-(1-phenyl-2-quinolin-2-ylethyl)carbamate has a molecular weight of 382.46 g/mol, XLogP of 5.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(1-phenyl-2-quinolin-2-ylethyl)carbamate is sourced from PubChem (CID 175293947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).