methyl (2S)-2-[4-(3,4-dihydro-2H-chromen-6-yl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetate

C23H29NO4 — CID 59578462

IUPACmethyl (2S)-2-[4-(3,4-dihydro-2H-chromen-6-yl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetate
SMILESCOC(=O)[C@@H](OC(C)(C)C)c1c(C)ncc(C)c1-c1ccc2c(c1)CCCO2
InChIInChI=1S/C23H29NO4/c1-14-13-24-15(2)20(21(22(25)26-6)28-23(3,4)5)19(14)17-9-10-18-16(12-17)8-7-11-27-18/h9-10,12-13,21H,7-8,11H2,1-6H3/t21-/m0/s1
InChIKeyQNVTUNCUNJAZBX-NRFANRHFSA-N
MW383.49 g/mol
LogP4.72
Rot. Bonds4

About methyl (2S)-2-[4-(3,4-dihydro-2H-chromen-6-yl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetate

methyl (2S)-2-[4-(3,4-dihydro-2H-chromen-6-yl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetate (PubChem CID 59578462) has the molecular formula C23H29NO4 and a molecular weight of 383.49 g/mol. Its IUPAC name is methyl (2S)-2-[4-(3,4-dihydro-2H-chromen-6-yl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetate.

Molecular Properties

Compound Namemethyl (2S)-2-[4-(3,4-dihydro-2H-chromen-6-yl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetate
PubChem CID59578462
Molecular FormulaC23H29NO4
Molecular Weight383.49 g/mol
Exact Mass383.21
IUPAC Namemethyl (2S)-2-[4-(3,4-dihydro-2H-chromen-6-yl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetate
SMILESCOC(=O)[C@@H](OC(C)(C)C)c1c(C)ncc(C)c1-c1ccc2c(c1)CCCO2
InChIInChI=1S/C23H29NO4/c1-14-13-24-15(2)20(21(22(25)26-6)28-23(3,4)5)19(14)17-9-10-18-16(12-17)8-7-11-27-18/h9-10,12-13,21H,7-8,11H2,1-6H3/t21-/m0/s1
InChIKeyQNVTUNCUNJAZBX-NRFANRHFSA-N
XLogP4.72
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl (2S)-2-[4-(3,4-dihydro-2H-chromen-6-yl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[6-(3,4-dihydro-2H-chromen-6-yl)-1,7-dimethyl-3,4-dihydro-2H-quinolin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 134526417
methyl 2-[6-(3,4-dihydro-2H-chromen-6-yl)-7-methyl-1,2,3,4-tetrahydroquinolin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 90377338
methyl 2-[5-[(4-chlorobenzoyl)amino]-2-(3,4-dihydro-2H-chromen-6-yl)-3,6-dimethylphenyl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 90380241
methyl 2-[3-(3,4-dihydro-2H-chromen-6-yl)-4-methyl-1,1-dioxo-1-benzothiophen-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 70855543
methyl 2-[2-(3-chlorophenyl)-8-(3,4-dihydro-2H-chromen-6-yl)-6-methylimidazo[1,2-a]pyridin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 118326919
ethyl 2-[4-(3,4-dihydro-2H-chromen-6-yl)-2-methyl-5-pyrimidin-5-ylthiophen-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 90096342
ethane;methyl 2-[2-(3,4-dihydro-2H-chromen-6-yl)-6-(trifluoromethyl)-3-(trifluoromethylsulfonyloxy)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 144603737
2-[5-bromo-4-(3,4-dihydro-2H-chromen-6-yl)-2-(hydroxymethyl)-6-methyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 126602028
2-[2-(3,4-dihydro-2H-chromen-6-yl)-3-pyridin-4-yl-6-(trifluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;methyl 2-[2-(3,4-dihydro-2H-chromen-6-yl)-3-methyl-6-(trifluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-[2-(3,4-dihydro-2H-chromen-6-yl)-3-pyridin-4-yl-6-(trifluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetate;pyridin-4-ylboronic acid
CID 157434431
2-[2-(3,4-dihydro-2H-chromen-6-yl)-3,6-dimethyl-5-(propanoylamino)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 90377449
methyl 2-[5-(3,4-dihydro-2H-chromen-6-yl)-2-phenyl-1,3-thiazol-4-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 70855246
ethyl 2-[4-(3,4-dihydro-2H-chromen-6-yl)-2-(hydroxymethyl)-5-pyridin-4-ylthiophen-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 90093340

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[4-(3,4-dihydro-2H-chromen-6-yl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetate?
The IUPAC name of methyl (2S)-2-[4-(3,4-dihydro-2H-chromen-6-yl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetate (CID 59578462) is methyl (2S)-2-[4-(3,4-dihydro-2H-chromen-6-yl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetate.
What is the SMILES notation for methyl (2S)-2-[4-(3,4-dihydro-2H-chromen-6-yl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetate?
The canonical SMILES for methyl (2S)-2-[4-(3,4-dihydro-2H-chromen-6-yl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetate is COC(=O)[C@@H](OC(C)(C)C)c1c(C)ncc(C)c1-c1ccc2c(c1)CCCO2.
What is the InChIKey of methyl (2S)-2-[4-(3,4-dihydro-2H-chromen-6-yl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetate?
The InChIKey is QNVTUNCUNJAZBX-NRFANRHFSA-N. The full InChI is InChI=1S/C23H29NO4/c1-14-13-24-15(2)20(21(22(25)26-6)28-23(3,4)5)19(14)17-9-10-18-16(12-17)8-7-11-27-18/h9-10,12-13,21H,7-8,11H2,1-6H3/t21-/m0/s1.
What are the key properties of methyl (2S)-2-[4-(3,4-dihydro-2H-chromen-6-yl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetate?
methyl (2S)-2-[4-(3,4-dihydro-2H-chromen-6-yl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetate has a molecular weight of 383.49 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[4-(3,4-dihydro-2H-chromen-6-yl)-2,5-dimethyl-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]acetate is sourced from PubChem (CID 59578462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).