ethyl (3R)-3-[benzyl-[(1R)-1-phenylethyl]amino]-5-methylhexanoate

C24H33NO2 — CID 70133570

IUPACethyl (3R)-3-[benzyl-[(1R)-1-phenylethyl]amino]-5-methylhexanoate
SMILESCCOC(=O)C[C@@H](CC(C)C)N(Cc1ccccc1)[C@H](C)c1ccccc1
InChIInChI=1S/C24H33NO2/c1-5-27-24(26)17-23(16-19(2)3)25(18-21-12-8-6-9-13-21)20(4)22-14-10-7-11-15-22/h6-15,19-20,23H,5,16-18H2,1-4H3/t20-,23-/m1/s1
InChIKeyOAJGPQKVPSUVSV-NFBKMPQASA-N
MW367.53 g/mol
LogP5.62
Rot. Bonds10

About ethyl (3R)-3-[benzyl-[(1R)-1-phenylethyl]amino]-5-methylhexanoate

ethyl (3R)-3-[benzyl-[(1R)-1-phenylethyl]amino]-5-methylhexanoate (PubChem CID 70133570) has the molecular formula C24H33NO2 and a molecular weight of 367.53 g/mol. Its IUPAC name is ethyl (3R)-3-[benzyl-[(1R)-1-phenylethyl]amino]-5-methylhexanoate.

Molecular Properties

Compound Nameethyl (3R)-3-[benzyl-[(1R)-1-phenylethyl]amino]-5-methylhexanoate
PubChem CID70133570
Molecular FormulaC24H33NO2
Molecular Weight367.53 g/mol
Exact Mass367.25
IUPAC Nameethyl (3R)-3-[benzyl-[(1R)-1-phenylethyl]amino]-5-methylhexanoate
SMILESCCOC(=O)C[C@@H](CC(C)C)N(Cc1ccccc1)[C@H](C)c1ccccc1
InChIInChI=1S/C24H33NO2/c1-5-27-24(26)17-23(16-19(2)3)25(18-21-12-8-6-9-13-21)20(4)22-14-10-7-11-15-22/h6-15,19-20,23H,5,16-18H2,1-4H3/t20-,23-/m1/s1
InChIKeyOAJGPQKVPSUVSV-NFBKMPQASA-N
XLogP5.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.53
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl (3R)-3-[benzyl-[(1R)-1-phenylethyl]amino]-5-methylhexanoate with MolForge

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Related Compounds

ethyl (3R)-3-[benzyl-[(1R)-1-phenylethyl]amino]tetradecanoate
CID 101252579
ethyl (3S)-8-chloro-3-[(4-methoxyphenyl)methyl-[(1S)-1-phenylethyl]amino]octanoate
CID 102370548
dimethyl (3R,7R)-3,7-bis[benzyl-[(1R)-1-phenylethyl]amino]nonanedioate
CID 11365677
ethyl (3S)-3-[benzyl-[(1R)-1-phenylethyl]amino]-3-naphthalen-1-ylpropanoate
CID 46837972
(3S,5R)-3-[benzyl-[(1S)-1-phenylethyl]amino]-5-methyloctanoic acid
CID 68953635
3-[benzyl(1-phenylethyl)amino]butanoic acid
CID 19790414
ethyl 3-[benzyl(1-phenylethyl)amino]-3-(2-fluoro-3-iodophenyl)propanoate
CID 175563039
ethyl (3S)-3-[benzyl-[(1R)-1-phenylethyl]amino]-3-[3-(2,6-dimethylphenyl)-4-methylphenyl]propanoate
CID 151016640
3-[benzyl-(4-ethoxy-4-oxobutan-2-yl)amino]pentanoic acid
CID 158794759
ethyl (3S)-3-[benzyl-[(1R)-1-phenylethyl]amino]-3-(3-fluoro-4-methoxyphenyl)propanoate
CID 10950163
ethyl 3-[benzyl(1-phenylethyl)amino]-3-(4-ethoxy-3-fluorophenyl)propanoate
CID 57131511
ethyl (3S)-3-[[(1S)-1-phenylethyl]-prop-2-enylamino]butanoate
CID 11161693

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-3-[benzyl-[(1R)-1-phenylethyl]amino]-5-methylhexanoate?
The IUPAC name of ethyl (3R)-3-[benzyl-[(1R)-1-phenylethyl]amino]-5-methylhexanoate (CID 70133570) is ethyl (3R)-3-[benzyl-[(1R)-1-phenylethyl]amino]-5-methylhexanoate.
What is the SMILES notation for ethyl (3R)-3-[benzyl-[(1R)-1-phenylethyl]amino]-5-methylhexanoate?
The canonical SMILES for ethyl (3R)-3-[benzyl-[(1R)-1-phenylethyl]amino]-5-methylhexanoate is CCOC(=O)C[C@@H](CC(C)C)N(Cc1ccccc1)[C@H](C)c1ccccc1.
What is the InChIKey of ethyl (3R)-3-[benzyl-[(1R)-1-phenylethyl]amino]-5-methylhexanoate?
The InChIKey is OAJGPQKVPSUVSV-NFBKMPQASA-N. The full InChI is InChI=1S/C24H33NO2/c1-5-27-24(26)17-23(16-19(2)3)25(18-21-12-8-6-9-13-21)20(4)22-14-10-7-11-15-22/h6-15,19-20,23H,5,16-18H2,1-4H3/t20-,23-/m1/s1.
What are the key properties of ethyl (3R)-3-[benzyl-[(1R)-1-phenylethyl]amino]-5-methylhexanoate?
ethyl (3R)-3-[benzyl-[(1R)-1-phenylethyl]amino]-5-methylhexanoate has a molecular weight of 367.53 g/mol, XLogP of 5.62, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-3-[benzyl-[(1R)-1-phenylethyl]amino]-5-methylhexanoate is sourced from PubChem (CID 70133570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).