[2-amino-3-(4-phenylbutanoyloxy)propyl] 4-phenylbutanoate

C23H29NO4 — CID 71612733

IUPAC[2-amino-3-(4-phenylbutanoyloxy)propyl] 4-phenylbutanoate
SMILESNC(COC(=O)CCCc1ccccc1)COC(=O)CCCc1ccccc1
InChIInChI=1S/C23H29NO4/c24-21(17-27-22(25)15-7-13-19-9-3-1-4-10-19)18-28-23(26)16-8-14-20-11-5-2-6-12-20/h1-6,9-12,21H,7-8,13-18,24H2
InChIKeyAOYFAZYUYRIFAL-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.45
Rot. Bonds12

About [2-amino-3-(4-phenylbutanoyloxy)propyl] 4-phenylbutanoate

[2-amino-3-(4-phenylbutanoyloxy)propyl] 4-phenylbutanoate (PubChem CID 71612733) has the molecular formula C23H29NO4 and a molecular weight of 383.49 g/mol. Its IUPAC name is [2-amino-3-(4-phenylbutanoyloxy)propyl] 4-phenylbutanoate.

Molecular Properties

Compound Name[2-amino-3-(4-phenylbutanoyloxy)propyl] 4-phenylbutanoate
PubChem CID71612733
Molecular FormulaC23H29NO4
Molecular Weight383.49 g/mol
Exact Mass383.21
IUPAC Name[2-amino-3-(4-phenylbutanoyloxy)propyl] 4-phenylbutanoate
SMILESNC(COC(=O)CCCc1ccccc1)COC(=O)CCCc1ccccc1
InChIInChI=1S/C23H29NO4/c24-21(17-27-22(25)15-7-13-19-9-3-1-4-10-19)18-28-23(26)16-8-14-20-11-5-2-6-12-20/h1-6,9-12,21H,7-8,13-18,24H2
InChIKeyAOYFAZYUYRIFAL-UHFFFAOYSA-N
XLogP3.45
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl 4-phenylbutanoate
CID 11961623
bis(3-phenylpropyl) hexanedioate
CID 59854363
2-octyldecyl 4-phenylbutanoate
CID 129279236
2-decyldodecyl 4-phenylbutanoate
CID 129279275
bis(3-phenylpropyl) decanedioate
CID 91710064
(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(5-phenylpentanoyloxy)propanoic acid
CID 71421892
4-(4-oxo-4-phenylmethoxybutyl)benzoic acid
CID 101218136
2-prop-2-enoyloxyethyl 4-phenylbutanoate
CID 66685598
2-methylnonyl 9-phenylnonanoate
CID 153439717
2,4-dimethylpentan-3-yl 4-phenylbutanoate
CID 146366962
1,2-difluoroethyl 4-phenylbutanoate
CID 141160477
bis[2-[2-(2-phenylethoxy)ethoxy]ethyl] hexanedioate
CID 69172633

Frequently Asked Questions

What is the IUPAC name of [2-amino-3-(4-phenylbutanoyloxy)propyl] 4-phenylbutanoate?
The IUPAC name of [2-amino-3-(4-phenylbutanoyloxy)propyl] 4-phenylbutanoate (CID 71612733) is [2-amino-3-(4-phenylbutanoyloxy)propyl] 4-phenylbutanoate.
What is the SMILES notation for [2-amino-3-(4-phenylbutanoyloxy)propyl] 4-phenylbutanoate?
The canonical SMILES for [2-amino-3-(4-phenylbutanoyloxy)propyl] 4-phenylbutanoate is NC(COC(=O)CCCc1ccccc1)COC(=O)CCCc1ccccc1.
What is the InChIKey of [2-amino-3-(4-phenylbutanoyloxy)propyl] 4-phenylbutanoate?
The InChIKey is AOYFAZYUYRIFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO4/c24-21(17-27-22(25)15-7-13-19-9-3-1-4-10-19)18-28-23(26)16-8-14-20-11-5-2-6-12-20/h1-6,9-12,21H,7-8,13-18,24H2.
What are the key properties of [2-amino-3-(4-phenylbutanoyloxy)propyl] 4-phenylbutanoate?
[2-amino-3-(4-phenylbutanoyloxy)propyl] 4-phenylbutanoate has a molecular weight of 383.49 g/mol, XLogP of 3.45, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-3-(4-phenylbutanoyloxy)propyl] 4-phenylbutanoate is sourced from PubChem (CID 71612733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).