4-acetamido-N-(3-hydroxypropyl)-3-phenylmethoxybenzamide

C19H22N2O4 — CID 162653429

IUPAC4-acetamido-N-(3-hydroxypropyl)-3-phenylmethoxybenzamide
SMILESCC(=O)Nc1ccc(C(=O)NCCCO)cc1OCc1ccccc1
InChIInChI=1S/C19H22N2O4/c1-14(23)21-17-9-8-16(19(24)20-10-5-11-22)12-18(17)25-13-15-6-3-2-4-7-15/h2-4,6-9,12,22H,5,10-11,13H2,1H3,(H,20,24)(H,21,23)
InChIKeyALINBIYMJCUAFW-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.34
Rot. Bonds8

About 4-acetamido-N-(3-hydroxypropyl)-3-phenylmethoxybenzamide

4-acetamido-N-(3-hydroxypropyl)-3-phenylmethoxybenzamide (PubChem CID 162653429) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 4-acetamido-N-(3-hydroxypropyl)-3-phenylmethoxybenzamide.

Molecular Properties

Compound Name4-acetamido-N-(3-hydroxypropyl)-3-phenylmethoxybenzamide
PubChem CID162653429
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name4-acetamido-N-(3-hydroxypropyl)-3-phenylmethoxybenzamide
SMILESCC(=O)Nc1ccc(C(=O)NCCCO)cc1OCc1ccccc1
InChIInChI=1S/C19H22N2O4/c1-14(23)21-17-9-8-16(19(24)20-10-5-11-22)12-18(17)25-13-15-6-3-2-4-7-15/h2-4,6-9,12,22H,5,10-11,13H2,1H3,(H,20,24)(H,21,23)
InChIKeyALINBIYMJCUAFW-UHFFFAOYSA-N
XLogP2.34
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-(3-hydroxypropyl)-3-phenylmethoxybenzamide?
The IUPAC name of 4-acetamido-N-(3-hydroxypropyl)-3-phenylmethoxybenzamide (CID 162653429) is 4-acetamido-N-(3-hydroxypropyl)-3-phenylmethoxybenzamide.
What is the SMILES notation for 4-acetamido-N-(3-hydroxypropyl)-3-phenylmethoxybenzamide?
The canonical SMILES for 4-acetamido-N-(3-hydroxypropyl)-3-phenylmethoxybenzamide is CC(=O)Nc1ccc(C(=O)NCCCO)cc1OCc1ccccc1.
What is the InChIKey of 4-acetamido-N-(3-hydroxypropyl)-3-phenylmethoxybenzamide?
The InChIKey is ALINBIYMJCUAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-14(23)21-17-9-8-16(19(24)20-10-5-11-22)12-18(17)25-13-15-6-3-2-4-7-15/h2-4,6-9,12,22H,5,10-11,13H2,1H3,(H,20,24)(H,21,23).
What are the key properties of 4-acetamido-N-(3-hydroxypropyl)-3-phenylmethoxybenzamide?
4-acetamido-N-(3-hydroxypropyl)-3-phenylmethoxybenzamide has a molecular weight of 342.40 g/mol, XLogP of 2.34, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-(3-hydroxypropyl)-3-phenylmethoxybenzamide is sourced from PubChem (CID 162653429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).