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

C22H24N2O2 — CID 175293953

IUPAC2-methylpropyl N-(1-phenyl-2-quinolin-2-ylethyl)carbamate
SMILESCC(C)COC(=O)NC(Cc1ccc2ccccc2n1)c1ccccc1
InChIInChI=1S/C22H24N2O2/c1-16(2)15-26-22(25)24-21(17-8-4-3-5-9-17)14-19-13-12-18-10-6-7-11-20(18)23-19/h3-13,16,21H,14-15H2,1-2H3,(H,24,25)
InChIKeyVWAFAXKBUFQSEY-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.90
Rot. Bonds6

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

2-methylpropyl N-(1-phenyl-2-quinolin-2-ylethyl)carbamate (PubChem CID 175293953) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-methylpropyl N-(1-phenyl-2-quinolin-2-ylethyl)carbamate.

Molecular Properties

Compound Name2-methylpropyl N-(1-phenyl-2-quinolin-2-ylethyl)carbamate
PubChem CID175293953
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name2-methylpropyl N-(1-phenyl-2-quinolin-2-ylethyl)carbamate
SMILESCC(C)COC(=O)NC(Cc1ccc2ccccc2n1)c1ccccc1
InChIInChI=1S/C22H24N2O2/c1-16(2)15-26-22(25)24-21(17-8-4-3-5-9-17)14-19-13-12-18-10-6-7-11-20(18)23-19/h3-13,16,21H,14-15H2,1-2H3,(H,24,25)
InChIKeyVWAFAXKBUFQSEY-UHFFFAOYSA-N
XLogP4.90
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methylpropyl N-(1-phenyl-2-quinolin-2-ylethyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl N-(1-phenyl-2-quinolin-2-ylethyl)carbamate
CID 175293947
N-[(1R)-1-(4-methoxyphenyl)-2-quinolin-2-ylethyl]acetamide
CID 130474047
N-[1-(3,5-dimethylphenyl)-2-quinolin-2-ylethyl]acetamide
CID 139579549
ethyl 2-methyl-3-quinolin-2-ylpropanoate
CID 59134939
2-[(2R)-4-methyl-2-phenylpentyl]quinoline
CID 153438470
methyl (2S)-2-(quinolin-2-ylmethylamino)propanoate
CID 61141163
ethyl 2-amino-3-quinolin-2-ylpropanoate
CID 5002488
2-methyl-1-phenyl-3-quinolin-2-ylpropan-1-one
CID 104844942
(1R)-1-phenyl-2-quinolin-2-ylethanol
CID 92849987
N-(1-phenyl-3-quinolin-2-ylpropan-2-yl)acetamide
CID 130455232
4-methyl-2-(methylamino)-1-quinolin-2-ylpentan-3-one
CID 71153530
4-methyl-1-quinolin-2-ylpentan-2-amine
CID 43118767

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-(1-phenyl-2-quinolin-2-ylethyl)carbamate?
The IUPAC name of 2-methylpropyl N-(1-phenyl-2-quinolin-2-ylethyl)carbamate (CID 175293953) is 2-methylpropyl N-(1-phenyl-2-quinolin-2-ylethyl)carbamate.
What is the SMILES notation for 2-methylpropyl N-(1-phenyl-2-quinolin-2-ylethyl)carbamate?
The canonical SMILES for 2-methylpropyl N-(1-phenyl-2-quinolin-2-ylethyl)carbamate is CC(C)COC(=O)NC(Cc1ccc2ccccc2n1)c1ccccc1.
What is the InChIKey of 2-methylpropyl N-(1-phenyl-2-quinolin-2-ylethyl)carbamate?
The InChIKey is VWAFAXKBUFQSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-16(2)15-26-22(25)24-21(17-8-4-3-5-9-17)14-19-13-12-18-10-6-7-11-20(18)23-19/h3-13,16,21H,14-15H2,1-2H3,(H,24,25).
What are the key properties of 2-methylpropyl N-(1-phenyl-2-quinolin-2-ylethyl)carbamate?
2-methylpropyl N-(1-phenyl-2-quinolin-2-ylethyl)carbamate has a molecular weight of 348.45 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-(1-phenyl-2-quinolin-2-ylethyl)carbamate is sourced from PubChem (CID 175293953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).