N-[(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylbutanamide

C20H24N2O — CID 793420

IUPACN-[(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylbutanamide
SMILESCCCC(=O)N(c1ccccc1)[C@@H]1C[C@@H](C)Nc2ccccc21
InChIInChI=1S/C20H24N2O/c1-3-9-20(23)22(16-10-5-4-6-11-16)19-14-15(2)21-18-13-8-7-12-17(18)19/h4-8,10-13,15,19,21H,3,9,14H2,1-2H3/t15-,19-/m1/s1
InChIKeyFNRWOUPKHMVSOW-DNVCBOLYSA-N
MW308.43 g/mol
LogP4.77
Rot. Bonds4

About N-[(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylbutanamide

N-[(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylbutanamide (PubChem CID 793420) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is N-[(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylbutanamide.

Molecular Properties

Compound NameN-[(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylbutanamide
PubChem CID793420
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC NameN-[(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylbutanamide
SMILESCCCC(=O)N(c1ccccc1)[C@@H]1C[C@@H](C)Nc2ccccc21
InChIInChI=1S/C20H24N2O/c1-3-9-20(23)22(16-10-5-4-6-11-16)19-14-15(2)21-18-13-8-7-12-17(18)19/h4-8,10-13,15,19,21H,3,9,14H2,1-2H3/t15-,19-/m1/s1
InChIKeyFNRWOUPKHMVSOW-DNVCBOLYSA-N
XLogP4.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylhexanamide
CID 2332403
N-[(2S,4R)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylacetamide
CID 687227
N-[(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylacetamide
CID 687228
2,2-dimethyl-N-[(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylpropanamide
CID 1399372
N-(4-chlorophenyl)-2-hydroxy-N-[(2S,4R)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]acetamide
CID 68918824
3-bromo-N-[(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylbenzamide
CID 2280830
N-(3-fluorophenyl)-N-(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)benzamide
CID 23850631
(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid
CID 95566944
N,2-dimethyl-N-propyl-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 43271515
N-[4-chloro-2-(dimethylamino)cyclopentyl]-N-phenylbutanamide
CID 54029934
N-[(2S,4S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpentanamide
CID 6581067
2-methyl-N-propan-2-yl-N-propyl-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 43269802

Frequently Asked Questions

What is the IUPAC name of N-[(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylbutanamide?
The IUPAC name of N-[(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylbutanamide (CID 793420) is N-[(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylbutanamide.
What is the SMILES notation for N-[(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylbutanamide?
The canonical SMILES for N-[(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylbutanamide is CCCC(=O)N(c1ccccc1)[C@@H]1C[C@@H](C)Nc2ccccc21.
What is the InChIKey of N-[(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylbutanamide?
The InChIKey is FNRWOUPKHMVSOW-DNVCBOLYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-3-9-20(23)22(16-10-5-4-6-11-16)19-14-15(2)21-18-13-8-7-12-17(18)19/h4-8,10-13,15,19,21H,3,9,14H2,1-2H3/t15-,19-/m1/s1.
What are the key properties of N-[(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylbutanamide?
N-[(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylbutanamide has a molecular weight of 308.43 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylbutanamide is sourced from PubChem (CID 793420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).