N-[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide

C22H26N2O2 — CID 1100225

IUPACN-[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)[C@@H]1C[C@H](C)N(C(=O)CC)c2ccccc21
InChIInChI=1S/C22H26N2O2/c1-4-21(25)23-16(3)15-20(18-13-9-10-14-19(18)23)24(22(26)5-2)17-11-7-6-8-12-17/h6-14,16,20H,4-5,15H2,1-3H3/t16-,20+/m0/s1
InChIKeyYDOOEADADLUVBV-OXJNMPFZSA-N
MW350.46 g/mol
LogP4.71
Rot. Bonds4

About N-[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide

N-[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide (PubChem CID 1100225) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide
PubChem CID1100225
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN-[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)[C@@H]1C[C@H](C)N(C(=O)CC)c2ccccc21
InChIInChI=1S/C22H26N2O2/c1-4-21(25)23-16(3)15-20(18-13-9-10-14-19(18)23)24(22(26)5-2)17-11-7-6-8-12-17/h6-14,16,20H,4-5,15H2,1-3H3/t16-,20+/m0/s1
InChIKeyYDOOEADADLUVBV-OXJNMPFZSA-N
XLogP4.71
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylpropanamide
CID 3103979
N-[2-methyl-1-(2-phenylacetyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide
CID 17067365
N-(2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl)-2-phenoxy-N-phenylacetamide
CID 17354822
N-[(2R,4S)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide
CID 1315658
2-(4-fluorophenyl)-N-[(2R,4S)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 1048862
N-[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenyl-2-thiophen-2-ylacetamide
CID 40771805
N-[(2R,4S)-1-(4-bromobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide
CID 21093039
N-[(2R,4S)-1-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide
CID 21093030
N-[(2S,4R)-1-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide
CID 86592013
N-[(2S,4S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpentanamide
CID 6581067
2-[4-[(2R,4S)-2-methyl-4-(N-propanoylanilino)-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]acetic acid
CID 68918397
N-[(2S,4S)-2-methyl-1-pentanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 7315666

Frequently Asked Questions

What is the IUPAC name of N-[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide?
The IUPAC name of N-[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide (CID 1100225) is N-[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide.
What is the SMILES notation for N-[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide?
The canonical SMILES for N-[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide is CCC(=O)N(c1ccccc1)[C@@H]1C[C@H](C)N(C(=O)CC)c2ccccc21.
What is the InChIKey of N-[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide?
The InChIKey is YDOOEADADLUVBV-OXJNMPFZSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-4-21(25)23-16(3)15-20(18-13-9-10-14-19(18)23)24(22(26)5-2)17-11-7-6-8-12-17/h6-14,16,20H,4-5,15H2,1-3H3/t16-,20+/m0/s1.
What are the key properties of N-[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide?
N-[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide has a molecular weight of 350.46 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide is sourced from PubChem (CID 1100225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).