2-methoxy-2,2-diphenylacetic acid;pentan-3-amine

C20H27NO3 — CID 173385536

IUPAC2-methoxy-2,2-diphenylacetic acid;pentan-3-amine
SMILESCCC(N)CC.COC(C(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H14O3.C5H13N/c1-18-15(14(16)17,12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-3-5(6)4-2/h2-11H,1H3,(H,16,17);5H,3-4,6H2,1-2H3
InChIKeyXAEGVEIDOIGVPV-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.79
Rot. Bonds6

About 2-methoxy-2,2-diphenylacetic acid;pentan-3-amine

2-methoxy-2,2-diphenylacetic acid;pentan-3-amine (PubChem CID 173385536) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is 2-methoxy-2,2-diphenylacetic acid;pentan-3-amine.

Molecular Properties

Compound Name2-methoxy-2,2-diphenylacetic acid;pentan-3-amine
PubChem CID173385536
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name2-methoxy-2,2-diphenylacetic acid;pentan-3-amine
SMILESCCC(N)CC.COC(C(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H14O3.C5H13N/c1-18-15(14(16)17,12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-3-5(6)4-2/h2-11H,1H3,(H,16,17);5H,3-4,6H2,1-2H3
InChIKeyXAEGVEIDOIGVPV-UHFFFAOYSA-N
XLogP3.79
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(dimethylamino)propan-2-ol;2-methoxy-2,2-diphenylacetic acid
CID 173385557
ethyl 2-(4-chlorophenyl)-2-methoxy-2-phenylacetate
CID 54148277
3-methoxy-2-methyl-2-phenylpentanoic acid
CID 175507222
2-hydroperoxy-2,2-diphenylacetic acid
CID 5314128
methyl 2-amino-4,4-difluoro-4-phenylbutanoate
CID 66940111
3-ethyl-2-methyl-2-phenylpentanoic acid
CID 158698282
2-phenylbutan-2-yl 2-methylbutanoate
CID 59331016
1-(2,2-difluoro-2-phenylethyl)sulfanylbutan-2-amine
CID 116789623
2-fluoro-3-hydroxy-2-phenylpentanoic acid
CID 19860351
methyl 2-ethyl-3-hydroxy-3-phenylpentanoate
CID 62394588
ethyl (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
CID 156904560
3-amino-2-fluoro-2-phenylbutanoic acid
CID 67114338

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2,2-diphenylacetic acid;pentan-3-amine?
The IUPAC name of 2-methoxy-2,2-diphenylacetic acid;pentan-3-amine (CID 173385536) is 2-methoxy-2,2-diphenylacetic acid;pentan-3-amine.
What is the SMILES notation for 2-methoxy-2,2-diphenylacetic acid;pentan-3-amine?
The canonical SMILES for 2-methoxy-2,2-diphenylacetic acid;pentan-3-amine is CCC(N)CC.COC(C(=O)O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-methoxy-2,2-diphenylacetic acid;pentan-3-amine?
The InChIKey is XAEGVEIDOIGVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3.C5H13N/c1-18-15(14(16)17,12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-3-5(6)4-2/h2-11H,1H3,(H,16,17);5H,3-4,6H2,1-2H3.
What are the key properties of 2-methoxy-2,2-diphenylacetic acid;pentan-3-amine?
2-methoxy-2,2-diphenylacetic acid;pentan-3-amine has a molecular weight of 329.44 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2,2-diphenylacetic acid;pentan-3-amine is sourced from PubChem (CID 173385536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).