cyclohexylmethyl (4S)-6-methyl-2-oxo-4-(2-propoxyphenyl)-3,4-dihydro-1H-pyridine-5-carboxylate

C23H31NO4 — CID 7412560

IUPACcyclohexylmethyl (4S)-6-methyl-2-oxo-4-(2-propoxyphenyl)-3,4-dihydro-1H-pyridine-5-carboxylate
SMILESCCCOc1ccccc1[C@@H]1CC(=O)NC(C)=C1C(=O)OCC1CCCCC1
InChIInChI=1S/C23H31NO4/c1-3-13-27-20-12-8-7-11-18(20)19-14-21(25)24-16(2)22(19)23(26)28-15-17-9-5-4-6-10-17/h7-8,11-12,17,19H,3-6,9-10,13-15H2,1-2H3,(H,24,25)/t19-/m0/s1
InChIKeyGAEKIWYQJRWXER-IBGZPJMESA-N
MW385.50 g/mol
LogP4.48
Rot. Bonds7

About cyclohexylmethyl (4S)-6-methyl-2-oxo-4-(2-propoxyphenyl)-3,4-dihydro-1H-pyridine-5-carboxylate

cyclohexylmethyl (4S)-6-methyl-2-oxo-4-(2-propoxyphenyl)-3,4-dihydro-1H-pyridine-5-carboxylate (PubChem CID 7412560) has the molecular formula C23H31NO4 and a molecular weight of 385.50 g/mol. Its IUPAC name is cyclohexylmethyl (4S)-6-methyl-2-oxo-4-(2-propoxyphenyl)-3,4-dihydro-1H-pyridine-5-carboxylate.

Molecular Properties

Compound Namecyclohexylmethyl (4S)-6-methyl-2-oxo-4-(2-propoxyphenyl)-3,4-dihydro-1H-pyridine-5-carboxylate
PubChem CID7412560
Molecular FormulaC23H31NO4
Molecular Weight385.50 g/mol
Exact Mass385.23
IUPAC Namecyclohexylmethyl (4S)-6-methyl-2-oxo-4-(2-propoxyphenyl)-3,4-dihydro-1H-pyridine-5-carboxylate
SMILESCCCOc1ccccc1[C@@H]1CC(=O)NC(C)=C1C(=O)OCC1CCCCC1
InChIInChI=1S/C23H31NO4/c1-3-13-27-20-12-8-7-11-18(20)19-14-21(25)24-16(2)22(19)23(26)28-15-17-9-5-4-6-10-17/h7-8,11-12,17,19H,3-6,9-10,13-15H2,1-2H3,(H,24,25)/t19-/m0/s1
InChIKeyGAEKIWYQJRWXER-IBGZPJMESA-N
XLogP4.48
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.50
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxyphenyl)methyl 6-methyl-2-oxo-4-(2-propoxyphenyl)-3,4-dihydro-1H-pyridine-5-carboxylate
CID 17060716
cyclohexylmethyl (4R)-4-(4-bromo-2,5-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 41123674
[(2R)-oxolan-2-yl]methyl (4S)-4-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 7080923
ethyl (4R)-6-methyl-4-(2-propoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2291601
2-methylsulfanylethyl 4-(2-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 6485683
propyl (4R)-4-(2-butoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7102810
ethyl (4R)-4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 1488606
cyclohexylmethyl 6-methyl-2-oxo-4-(2-propan-2-yloxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2854673
[(2S)-oxolan-2-yl]methyl (4S)-6-methyl-4-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 7443722
cyclohexylmethyl (4S)-6-methyl-2-oxo-4-(2-propan-2-yloxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 1007239
2-methoxyethyl 4-(2-bromophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 625638
ethyl 6-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxylate
CID 3754011

Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl (4S)-6-methyl-2-oxo-4-(2-propoxyphenyl)-3,4-dihydro-1H-pyridine-5-carboxylate?
The IUPAC name of cyclohexylmethyl (4S)-6-methyl-2-oxo-4-(2-propoxyphenyl)-3,4-dihydro-1H-pyridine-5-carboxylate (CID 7412560) is cyclohexylmethyl (4S)-6-methyl-2-oxo-4-(2-propoxyphenyl)-3,4-dihydro-1H-pyridine-5-carboxylate.
What is the SMILES notation for cyclohexylmethyl (4S)-6-methyl-2-oxo-4-(2-propoxyphenyl)-3,4-dihydro-1H-pyridine-5-carboxylate?
The canonical SMILES for cyclohexylmethyl (4S)-6-methyl-2-oxo-4-(2-propoxyphenyl)-3,4-dihydro-1H-pyridine-5-carboxylate is CCCOc1ccccc1[C@@H]1CC(=O)NC(C)=C1C(=O)OCC1CCCCC1.
What is the InChIKey of cyclohexylmethyl (4S)-6-methyl-2-oxo-4-(2-propoxyphenyl)-3,4-dihydro-1H-pyridine-5-carboxylate?
The InChIKey is GAEKIWYQJRWXER-IBGZPJMESA-N. The full InChI is InChI=1S/C23H31NO4/c1-3-13-27-20-12-8-7-11-18(20)19-14-21(25)24-16(2)22(19)23(26)28-15-17-9-5-4-6-10-17/h7-8,11-12,17,19H,3-6,9-10,13-15H2,1-2H3,(H,24,25)/t19-/m0/s1.
What are the key properties of cyclohexylmethyl (4S)-6-methyl-2-oxo-4-(2-propoxyphenyl)-3,4-dihydro-1H-pyridine-5-carboxylate?
cyclohexylmethyl (4S)-6-methyl-2-oxo-4-(2-propoxyphenyl)-3,4-dihydro-1H-pyridine-5-carboxylate has a molecular weight of 385.50 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl (4S)-6-methyl-2-oxo-4-(2-propoxyphenyl)-3,4-dihydro-1H-pyridine-5-carboxylate is sourced from PubChem (CID 7412560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).