N-(3-hydroxypropyl)-2,2,2-triphenylacetamide

C23H23NO2 — CID 73353733

IUPACN-(3-hydroxypropyl)-2,2,2-triphenylacetamide
SMILESO=C(NCCCO)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H23NO2/c25-18-10-17-24-22(26)23(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-16,25H,10,17-18H2,(H,24,26)
InChIKeyUBZGLDNBDXUACZ-UHFFFAOYSA-N
MW345.44 g/mol
LogP3.52
Rot. Bonds7

About N-(3-hydroxypropyl)-2,2,2-triphenylacetamide

N-(3-hydroxypropyl)-2,2,2-triphenylacetamide (PubChem CID 73353733) has the molecular formula C23H23NO2 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-2,2,2-triphenylacetamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-2,2,2-triphenylacetamide
PubChem CID73353733
Molecular FormulaC23H23NO2
Molecular Weight345.44 g/mol
Exact Mass345.17
IUPAC NameN-(3-hydroxypropyl)-2,2,2-triphenylacetamide
SMILESO=C(NCCCO)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H23NO2/c25-18-10-17-24-22(26)23(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-16,25H,10,17-18H2,(H,24,26)
InChIKeyUBZGLDNBDXUACZ-UHFFFAOYSA-N
XLogP3.52
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-2,2,2-triphenylacetamide?
The IUPAC name of N-(3-hydroxypropyl)-2,2,2-triphenylacetamide (CID 73353733) is N-(3-hydroxypropyl)-2,2,2-triphenylacetamide.
What is the SMILES notation for N-(3-hydroxypropyl)-2,2,2-triphenylacetamide?
The canonical SMILES for N-(3-hydroxypropyl)-2,2,2-triphenylacetamide is O=C(NCCCO)C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(3-hydroxypropyl)-2,2,2-triphenylacetamide?
The InChIKey is UBZGLDNBDXUACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO2/c25-18-10-17-24-22(26)23(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-16,25H,10,17-18H2,(H,24,26).
What are the key properties of N-(3-hydroxypropyl)-2,2,2-triphenylacetamide?
N-(3-hydroxypropyl)-2,2,2-triphenylacetamide has a molecular weight of 345.44 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-2,2,2-triphenylacetamide is sourced from PubChem (CID 73353733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).