methyl 4-amino-3-phenyl-3-propylhexanoate

C16H25NO2 — CID 66097736

IUPACmethyl 4-amino-3-phenyl-3-propylhexanoate
SMILESCCCC(CC(=O)OC)(c1ccccc1)C(N)CC
InChIInChI=1S/C16H25NO2/c1-4-11-16(14(17)5-2,12-15(18)19-3)13-9-7-6-8-10-13/h6-10,14H,4-5,11-12,17H2,1-3H3
InChIKeyQWGGETVNTHLCHR-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.02
Rot. Bonds7

About methyl 4-amino-3-phenyl-3-propylhexanoate

methyl 4-amino-3-phenyl-3-propylhexanoate (PubChem CID 66097736) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is methyl 4-amino-3-phenyl-3-propylhexanoate.

Molecular Properties

Compound Namemethyl 4-amino-3-phenyl-3-propylhexanoate
PubChem CID66097736
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Namemethyl 4-amino-3-phenyl-3-propylhexanoate
SMILESCCCC(CC(=O)OC)(c1ccccc1)C(N)CC
InChIInChI=1S/C16H25NO2/c1-4-11-16(14(17)5-2,12-15(18)19-3)13-9-7-6-8-10-13/h6-10,14H,4-5,11-12,17H2,1-3H3
InChIKeyQWGGETVNTHLCHR-UHFFFAOYSA-N
XLogP3.02
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-phenyl-3-propylhexanoic acid
CID 66096089
methyl 3-(aminomethyl)-4-methyl-3-phenylpentanoate
CID 66096815
4-amino-3-ethyl-3-phenylhexanoic acid
CID 66096689
methyl 3-(ethylamino)-3-phenylhexanoate
CID 65235194
methyl 4-amino-3-methyl-3-(4-methylphenyl)hexanoate
CID 66098766
methyl 4-amino-3-(2-bromophenyl)-3-methylhexanoate
CID 66098993
methyl (3S)-3-amino-4,4,4-trifluoro-3-phenylbutanoate
CID 125468078
5-O-ethyl 1-O-methyl (2S,3S)-2-ethyl-3-hydroxy-3-phenylpentanedioate
CID 11716297
methyl 4-amino-3-methyl-3-(4-propan-2-ylphenyl)hexanoate
CID 66098770
methyl 4-amino-3-methyl-3-(4-methylsulfanylphenyl)hexanoate
CID 66098996
methyl 3-hydroxy-5-methyl-3-phenylhexanoate
CID 54095217
methyl 4-amino-3-methyl-3-(4-methylsulfonylphenyl)hexanoate
CID 66096883

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-phenyl-3-propylhexanoate?
The IUPAC name of methyl 4-amino-3-phenyl-3-propylhexanoate (CID 66097736) is methyl 4-amino-3-phenyl-3-propylhexanoate.
What is the SMILES notation for methyl 4-amino-3-phenyl-3-propylhexanoate?
The canonical SMILES for methyl 4-amino-3-phenyl-3-propylhexanoate is CCCC(CC(=O)OC)(c1ccccc1)C(N)CC.
What is the InChIKey of methyl 4-amino-3-phenyl-3-propylhexanoate?
The InChIKey is QWGGETVNTHLCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-11-16(14(17)5-2,12-15(18)19-3)13-9-7-6-8-10-13/h6-10,14H,4-5,11-12,17H2,1-3H3.
What are the key properties of methyl 4-amino-3-phenyl-3-propylhexanoate?
methyl 4-amino-3-phenyl-3-propylhexanoate has a molecular weight of 263.38 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3-phenyl-3-propylhexanoate is sourced from PubChem (CID 66097736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).