3-benzamidopropyl (3S)-3-hydroxy-3-phenylpropanoate

C19H21NO4 — CID 175175993

IUPAC3-benzamidopropyl (3S)-3-hydroxy-3-phenylpropanoate
SMILESO=C(C[C@H](O)c1ccccc1)OCCCNC(=O)c1ccccc1
InChIInChI=1S/C19H21NO4/c21-17(15-8-3-1-4-9-15)14-18(22)24-13-7-12-20-19(23)16-10-5-2-6-11-16/h1-6,8-11,17,21H,7,12-14H2,(H,20,23)/t17-/m0/s1
InChIKeyOQZKPIUBWCSONC-KRWDZBQOSA-N
MW327.38 g/mol
LogP2.47
Rot. Bonds8

About 3-benzamidopropyl (3S)-3-hydroxy-3-phenylpropanoate

3-benzamidopropyl (3S)-3-hydroxy-3-phenylpropanoate (PubChem CID 175175993) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 3-benzamidopropyl (3S)-3-hydroxy-3-phenylpropanoate.

Molecular Properties

Compound Name3-benzamidopropyl (3S)-3-hydroxy-3-phenylpropanoate
PubChem CID175175993
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name3-benzamidopropyl (3S)-3-hydroxy-3-phenylpropanoate
SMILESO=C(C[C@H](O)c1ccccc1)OCCCNC(=O)c1ccccc1
InChIInChI=1S/C19H21NO4/c21-17(15-8-3-1-4-9-15)14-18(22)24-13-7-12-20-19(23)16-10-5-2-6-11-16/h1-6,8-11,17,21H,7,12-14H2,(H,20,23)/t17-/m0/s1
InChIKeyOQZKPIUBWCSONC-KRWDZBQOSA-N
XLogP2.47
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

propyl (3S)-3-hydroxy-3-phenylpropanoate
CID 102185519
N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
CID 6542363
1-O-(3-benzamidopropyl) 4-O-propan-2-yl (E)-but-2-enedioate
CID 126492433
3-(pyridine-4-carbonylamino)propyl hydrogen carbonate
CID 130453907
N-(3-phenylmethoxypropyl)benzamide
CID 60701514
ethyl (3S)-3-hydroxy-3-phenylpropanoate
CID 853697
4-(aminomethyl)-N-[3-(1-phenylethoxy)propyl]benzamide
CID 119273569
N-(3-amino-3-phenylpropyl)benzamide
CID 80506685
methyl 4-benzamidobutanoate
CID 13197711
3-benzamidopropyl sulfite
CID 174467673
N-[2-(4-aminophenoxy)ethyl]benzamide
CID 14121577
N-(3-prop-2-enoxypropyl)benzamide
CID 10775246

Frequently Asked Questions

What is the IUPAC name of 3-benzamidopropyl (3S)-3-hydroxy-3-phenylpropanoate?
The IUPAC name of 3-benzamidopropyl (3S)-3-hydroxy-3-phenylpropanoate (CID 175175993) is 3-benzamidopropyl (3S)-3-hydroxy-3-phenylpropanoate.
What is the SMILES notation for 3-benzamidopropyl (3S)-3-hydroxy-3-phenylpropanoate?
The canonical SMILES for 3-benzamidopropyl (3S)-3-hydroxy-3-phenylpropanoate is O=C(C[C@H](O)c1ccccc1)OCCCNC(=O)c1ccccc1.
What is the InChIKey of 3-benzamidopropyl (3S)-3-hydroxy-3-phenylpropanoate?
The InChIKey is OQZKPIUBWCSONC-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H21NO4/c21-17(15-8-3-1-4-9-15)14-18(22)24-13-7-12-20-19(23)16-10-5-2-6-11-16/h1-6,8-11,17,21H,7,12-14H2,(H,20,23)/t17-/m0/s1.
What are the key properties of 3-benzamidopropyl (3S)-3-hydroxy-3-phenylpropanoate?
3-benzamidopropyl (3S)-3-hydroxy-3-phenylpropanoate has a molecular weight of 327.38 g/mol, XLogP of 2.47, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamidopropyl (3S)-3-hydroxy-3-phenylpropanoate is sourced from PubChem (CID 175175993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).