N-[3-(6-propan-2-ylquinolin-2-yl)phenyl]butanamide

C22H24N2O — CID 46376288

IUPACN-[3-(6-propan-2-ylquinolin-2-yl)phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(-c2ccc3cc(C(C)C)ccc3n2)c1
InChIInChI=1S/C22H24N2O/c1-4-6-22(25)23-19-8-5-7-17(14-19)20-12-10-18-13-16(15(2)3)9-11-21(18)24-20/h5,7-15H,4,6H2,1-3H3,(H,23,25)
InChIKeyKJVYBRLJJPTVOQ-UHFFFAOYSA-N
MW332.45 g/mol
LogP5.76
Rot. Bonds5

About N-[3-(6-propan-2-ylquinolin-2-yl)phenyl]butanamide

N-[3-(6-propan-2-ylquinolin-2-yl)phenyl]butanamide (PubChem CID 46376288) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is N-[3-(6-propan-2-ylquinolin-2-yl)phenyl]butanamide.

Molecular Properties

Compound NameN-[3-(6-propan-2-ylquinolin-2-yl)phenyl]butanamide
PubChem CID46376288
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC NameN-[3-(6-propan-2-ylquinolin-2-yl)phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(-c2ccc3cc(C(C)C)ccc3n2)c1
InChIInChI=1S/C22H24N2O/c1-4-6-22(25)23-19-8-5-7-17(14-19)20-12-10-18-13-16(15(2)3)9-11-21(18)24-20/h5,7-15H,4,6H2,1-3H3,(H,23,25)
InChIKeyKJVYBRLJJPTVOQ-UHFFFAOYSA-N
XLogP5.76
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.45
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(6-propan-2-ylquinolin-2-yl)phenyl]-2-thiophen-2-ylacetamide
CID 46376286
2-phenyl-N-(3-quinolin-2-ylphenyl)acetamide
CID 46376277
N-[3-(6-propan-2-ylquinolin-2-yl)phenyl]-1H-imidazole-5-sulfonamide
CID 50816850
N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 17189167
N-phenazin-2-ylbutanamide
CID 73349412
4-oxo-4-(3-propan-2-ylanilino)butanoic acid
CID 43396404
3-methyl-N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]butanamide
CID 23766038
2-ethylsulfonyl-N-(3-propan-2-ylphenyl)acetamide
CID 47207398
4-chloro-N-[3-(6-methylquinolin-2-yl)phenyl]benzamide
CID 74763620
3-(butanoylamino)benzoate
CID 5092431
N-[3-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]hexanamide
CID 40600443
N-[3-(hexanoylamino)phenyl]-4-propan-2-ylbenzamide
CID 26161397

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-propan-2-ylquinolin-2-yl)phenyl]butanamide?
The IUPAC name of N-[3-(6-propan-2-ylquinolin-2-yl)phenyl]butanamide (CID 46376288) is N-[3-(6-propan-2-ylquinolin-2-yl)phenyl]butanamide.
What is the SMILES notation for N-[3-(6-propan-2-ylquinolin-2-yl)phenyl]butanamide?
The canonical SMILES for N-[3-(6-propan-2-ylquinolin-2-yl)phenyl]butanamide is CCCC(=O)Nc1cccc(-c2ccc3cc(C(C)C)ccc3n2)c1.
What is the InChIKey of N-[3-(6-propan-2-ylquinolin-2-yl)phenyl]butanamide?
The InChIKey is KJVYBRLJJPTVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O/c1-4-6-22(25)23-19-8-5-7-17(14-19)20-12-10-18-13-16(15(2)3)9-11-21(18)24-20/h5,7-15H,4,6H2,1-3H3,(H,23,25).
What are the key properties of N-[3-(6-propan-2-ylquinolin-2-yl)phenyl]butanamide?
N-[3-(6-propan-2-ylquinolin-2-yl)phenyl]butanamide has a molecular weight of 332.45 g/mol, XLogP of 5.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-propan-2-ylquinolin-2-yl)phenyl]butanamide is sourced from PubChem (CID 46376288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).