N-[(2S,4S)-2-methyl-1-pentanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide

C23H28N2O2 — CID 7315666

IUPACN-[(2S,4S)-2-methyl-1-pentanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
SMILESCCCCC(=O)N1c2ccccc2[C@@H](N(C(C)=O)c2ccccc2)C[C@@H]1C
InChIInChI=1S/C23H28N2O2/c1-4-5-15-23(27)24-17(2)16-22(20-13-9-10-14-21(20)24)25(18(3)26)19-11-7-6-8-12-19/h6-14,17,22H,4-5,15-16H2,1-3H3/t17-,22-/m0/s1
InChIKeyFDFYIDPGADEJDC-JTSKRJEESA-N
MW364.49 g/mol
LogP5.10
Rot. Bonds5

About N-[(2S,4S)-2-methyl-1-pentanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide

N-[(2S,4S)-2-methyl-1-pentanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide (PubChem CID 7315666) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[(2S,4S)-2-methyl-1-pentanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-[(2S,4S)-2-methyl-1-pentanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
PubChem CID7315666
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC NameN-[(2S,4S)-2-methyl-1-pentanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
SMILESCCCCC(=O)N1c2ccccc2[C@@H](N(C(C)=O)c2ccccc2)C[C@@H]1C
InChIInChI=1S/C23H28N2O2/c1-4-5-15-23(27)24-17(2)16-22(20-13-9-10-14-21(20)24)25(18(3)26)19-11-7-6-8-12-19/h6-14,17,22H,4-5,15-16H2,1-3H3/t17-,22-/m0/s1
InChIKeyFDFYIDPGADEJDC-JTSKRJEESA-N
XLogP5.10
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.49
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R,4R)-2-methyl-1-octanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 9499477
N-[(2S,4S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpentanamide
CID 6581067
3-methoxy-N-[(2R,4R)-2-methyl-1-pentanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide
CID 2302424
N-[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide
CID 1100225
N-(2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylpropanamide
CID 3103979
N-[(2S,4R)-1-[2-(4-bromophenoxy)acetyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 92957449
N-[2-methyl-1-[(E)-3-phenylprop-2-enoyl]-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 5290618
N-[(2R,4R)-2-methyl-1-[(E)-3-phenylprop-2-enoyl]-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 5497812
N-[(2R,4S)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide
CID 1315658
4-(N-acetylanilino)-2-methyl-N-phenyl-3,4-dihydro-2H-quinoline-1-carboxamide;methanol
CID 142882860
N-[2-methyl-1-(2-phenylacetyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide
CID 17067365
N-[(2R,4S)-1-(2-iodobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 2306858

Frequently Asked Questions

What is the IUPAC name of N-[(2S,4S)-2-methyl-1-pentanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
The IUPAC name of N-[(2S,4S)-2-methyl-1-pentanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide (CID 7315666) is N-[(2S,4S)-2-methyl-1-pentanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide.
What is the SMILES notation for N-[(2S,4S)-2-methyl-1-pentanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
The canonical SMILES for N-[(2S,4S)-2-methyl-1-pentanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide is CCCCC(=O)N1c2ccccc2[C@@H](N(C(C)=O)c2ccccc2)C[C@@H]1C.
What is the InChIKey of N-[(2S,4S)-2-methyl-1-pentanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
The InChIKey is FDFYIDPGADEJDC-JTSKRJEESA-N. The full InChI is InChI=1S/C23H28N2O2/c1-4-5-15-23(27)24-17(2)16-22(20-13-9-10-14-21(20)24)25(18(3)26)19-11-7-6-8-12-19/h6-14,17,22H,4-5,15-16H2,1-3H3/t17-,22-/m0/s1.
What are the key properties of N-[(2S,4S)-2-methyl-1-pentanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
N-[(2S,4S)-2-methyl-1-pentanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide has a molecular weight of 364.49 g/mol, XLogP of 5.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4S)-2-methyl-1-pentanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide is sourced from PubChem (CID 7315666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).