methyl 5-[di(propan-2-yl)amino]-5-oxo-3,4-diphenylpentanoate

C24H31NO3 — CID 12653729

IUPACmethyl 5-[di(propan-2-yl)amino]-5-oxo-3,4-diphenylpentanoate
SMILESCOC(=O)CC(c1ccccc1)C(C(=O)N(C(C)C)C(C)C)c1ccccc1
InChIInChI=1S/C24H31NO3/c1-17(2)25(18(3)4)24(27)23(20-14-10-7-11-15-20)21(16-22(26)28-5)19-12-8-6-9-13-19/h6-15,17-18,21,23H,16H2,1-5H3
InChIKeyDSVMDASVIIFAHY-UHFFFAOYSA-N
MW381.52 g/mol
LogP4.76
Rot. Bonds8

About methyl 5-[di(propan-2-yl)amino]-5-oxo-3,4-diphenylpentanoate

methyl 5-[di(propan-2-yl)amino]-5-oxo-3,4-diphenylpentanoate (PubChem CID 12653729) has the molecular formula C24H31NO3 and a molecular weight of 381.52 g/mol. Its IUPAC name is methyl 5-[di(propan-2-yl)amino]-5-oxo-3,4-diphenylpentanoate.

Molecular Properties

Compound Namemethyl 5-[di(propan-2-yl)amino]-5-oxo-3,4-diphenylpentanoate
PubChem CID12653729
Molecular FormulaC24H31NO3
Molecular Weight381.52 g/mol
Exact Mass381.23
IUPAC Namemethyl 5-[di(propan-2-yl)amino]-5-oxo-3,4-diphenylpentanoate
SMILESCOC(=O)CC(c1ccccc1)C(C(=O)N(C(C)C)C(C)C)c1ccccc1
InChIInChI=1S/C24H31NO3/c1-17(2)25(18(3)4)24(27)23(20-14-10-7-11-15-20)21(16-22(26)28-5)19-12-8-6-9-13-19/h6-15,17-18,21,23H,16H2,1-5H3
InChIKeyDSVMDASVIIFAHY-UHFFFAOYSA-N
XLogP4.76
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-[1-hydroxyethyl(propan-2-yl)amino]-5-oxo-3-phenyl-4-pyridin-3-ylpentanoate
CID 143402411
methyl (3R,4R)-5-[[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]-5-oxo-3,4-diphenylpentanoate
CID 12025473
dimethyl (3R,4R)-3,4-diphenylhexanedioate
CID 10969442
CID 88971303
CID 88971303
methyl (3S)-4-benzoyl-5-oxo-3,5-diphenylpentanoate
CID 134842570
methyl 4-cyano-3,4-diphenylbutanoate
CID 11780891
(2R,3S)-3-anilino-2,3-diphenyl-N,N-di(propan-2-yl)propanamide
CID 101028936
1-O,1-O-diethyl 3-O-methyl (2R)-2-phenylpropane-1,1,3-tricarboxylate
CID 102323443
2-bromo-2-phenyl-N,N-di(propan-2-yl)acetamide
CID 22398871
(2R)-2-phenyl-N,N-di(propan-2-yl)propanamide
CID 15064517
methyl 2-[[(2R)-2-amino-2-phenylacetyl]-propan-2-ylamino]acetate
CID 61164332
methyl (3S)-3-(4-methoxyphenyl)-3-phenylpropanoate
CID 134965407

Frequently Asked Questions

What is the IUPAC name of methyl 5-[di(propan-2-yl)amino]-5-oxo-3,4-diphenylpentanoate?
The IUPAC name of methyl 5-[di(propan-2-yl)amino]-5-oxo-3,4-diphenylpentanoate (CID 12653729) is methyl 5-[di(propan-2-yl)amino]-5-oxo-3,4-diphenylpentanoate.
What is the SMILES notation for methyl 5-[di(propan-2-yl)amino]-5-oxo-3,4-diphenylpentanoate?
The canonical SMILES for methyl 5-[di(propan-2-yl)amino]-5-oxo-3,4-diphenylpentanoate is COC(=O)CC(c1ccccc1)C(C(=O)N(C(C)C)C(C)C)c1ccccc1.
What is the InChIKey of methyl 5-[di(propan-2-yl)amino]-5-oxo-3,4-diphenylpentanoate?
The InChIKey is DSVMDASVIIFAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO3/c1-17(2)25(18(3)4)24(27)23(20-14-10-7-11-15-20)21(16-22(26)28-5)19-12-8-6-9-13-19/h6-15,17-18,21,23H,16H2,1-5H3.
What are the key properties of methyl 5-[di(propan-2-yl)amino]-5-oxo-3,4-diphenylpentanoate?
methyl 5-[di(propan-2-yl)amino]-5-oxo-3,4-diphenylpentanoate has a molecular weight of 381.52 g/mol, XLogP of 4.76, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[di(propan-2-yl)amino]-5-oxo-3,4-diphenylpentanoate is sourced from PubChem (CID 12653729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).