CID 146225264

C28H39NO6 — CID 146225264

IUPAC—
SMILESCOC(=O)[C@@H](C)[C@H](c1ccc2c(c1)OC1(CC2O)CC2(CCN(C(=O)OC(C)(C)C)C2)C1)C1CC1
InChIInChI=1S/C28H39NO6/c1-17(24(31)33-5)23(18-6-7-18)19-8-9-20-21(30)13-28(34-22(20)12-19)14-27(15-28)10-11-29(16-27)25(32)35-26(2,3)4/h8-9,12,17-18,21,23,30H,6-7,10-11,13-16H2,1-5H3/t17-,21?,23-,27?,28?/m0/s1
InChIKeySVPJLKFYDRRHSK-CMMWSISNSA-N
MW485.62 g/mol
LogP4.97
Rot. Bonds4

About CID 146225264

CID 146225264 (PubChem CID 146225264) has the molecular formula C28H39NO6 and a molecular weight of 485.62 g/mol.

Molecular Properties

Compound NameCID 146225264
PubChem CID146225264
Molecular FormulaC28H39NO6
Molecular Weight485.62 g/mol
Exact Mass485.28
IUPAC Name—
SMILESCOC(=O)[C@@H](C)[C@H](c1ccc2c(c1)OC1(CC2O)CC2(CCN(C(=O)OC(C)(C)C)C2)C1)C1CC1
InChIInChI=1S/C28H39NO6/c1-17(24(31)33-5)23(18-6-7-18)19-8-9-20-21(30)13-28(34-22(20)12-19)14-27(15-28)10-11-29(16-27)25(32)35-26(2,3)4/h8-9,12,17-18,21,23,30H,6-7,10-11,13-16H2,1-5H3/t17-,21?,23-,27?,28?/m0/s1
InChIKeySVPJLKFYDRRHSK-CMMWSISNSA-N
XLogP4.97
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.62
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-cyclopropyl-3-[4-hydroxy-4'-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[3,4-dihydrochromene-2,1'-cyclohexane]-7-yl]-2-methylpropanoate
CID 146225078
tert-butyl 6-[7-(1-cyclopropyl-3-methoxy-2-methyl-3-oxopropyl)-3,4-dihydro-2H-chromen-2-yl]-2-azaspiro[3.3]heptane-2-carboxylate
CID 166658890
tert-butyl 7-fluoro-4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
CID 67122794
tert-butyl (4S)-4,7-dihydroxyspiro[3,4-dihydrochromene-2,3'-azetidine]-1'-carboxylate
CID 129498949
methyl (2R,3R)-3-cyclopropyl-2-methyl-3-spiro[3,4-dihydrochromene-2,4'-piperidine]-7-ylpropanoate
CID 146224999
tert-butyl 3-[8-(1-cyclopropyl-3-methoxy-2-methyl-3-oxopropyl)-2,3,4,5-tetrahydro-1-benzoxepin-2-yl]azetidine-1-carboxylate
CID 130274876
methyl (2R,3R)-3-cyclopropyl-2-methyl-3-[1'-[2-(trifluoromethyl)phenyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-7-yl]propanoate
CID 146225113
methyl (2S,3R)-3-cyclopropyl-2-methyl-3-[1'-[2-(trifluoromethyl)phenyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-7-yl]propanoate
CID 153277250
methyl (2S,3R)-3-[1'-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-7-yl]-3-cyclopropyl-2-methylpropanoate
CID 150944192
ditert-butyl 4-aminospiro[3,4-dihydrochromene-2,3'-pyrrolidine]-1',7-dicarboxylate
CID 165483559
tert-butyl (1S,5S)-3-[(2S)-7-[(1R,2S)-1-cyclopropyl-3-methoxy-2-methyl-3-oxopropyl]-4-oxo-2,3-dihydrochromen-2-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 166658898
tert-butyl 3-[1-[5-(1-cyclopropyl-3-methoxy-2-methyl-3-oxopropyl)-2-methylphenoxy]-2-hydroxyethyl]azetidine-1-carboxylate
CID 123611106

Frequently Asked Questions

What is the IUPAC name of CID 146225264?
The IUPAC name of CID 146225264 (CID 146225264) is not available.
What is the SMILES notation for CID 146225264?
The canonical SMILES for CID 146225264 is COC(=O)[C@@H](C)[C@H](c1ccc2c(c1)OC1(CC2O)CC2(CCN(C(=O)OC(C)(C)C)C2)C1)C1CC1.
What is the InChIKey of CID 146225264?
The InChIKey is SVPJLKFYDRRHSK-CMMWSISNSA-N. The full InChI is InChI=1S/C28H39NO6/c1-17(24(31)33-5)23(18-6-7-18)19-8-9-20-21(30)13-28(34-22(20)12-19)14-27(15-28)10-11-29(16-27)25(32)35-26(2,3)4/h8-9,12,17-18,21,23,30H,6-7,10-11,13-16H2,1-5H3/t17-,21?,23-,27?,28?/m0/s1.
What are the key properties of CID 146225264?
CID 146225264 has a molecular weight of 485.62 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 146225264 is sourced from PubChem (CID 146225264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).