N-(2,3-dihydroxypropyl)-N-(4-phenoxyphenyl)formamide

C16H17NO4 — CID 71419276

IUPACN-(2,3-dihydroxypropyl)-N-(4-phenoxyphenyl)formamide
SMILESO=CN(CC(O)CO)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C16H17NO4/c18-11-14(20)10-17(12-19)13-6-8-16(9-7-13)21-15-4-2-1-3-5-15/h1-9,12,14,18,20H,10-11H2
InChIKeyZULXIOJCYRZRAH-UHFFFAOYSA-N
MW287.31 g/mol
LogP1.79
Rot. Bonds7

About N-(2,3-dihydroxypropyl)-N-(4-phenoxyphenyl)formamide

N-(2,3-dihydroxypropyl)-N-(4-phenoxyphenyl)formamide (PubChem CID 71419276) has the molecular formula C16H17NO4 and a molecular weight of 287.31 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-N-(4-phenoxyphenyl)formamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-N-(4-phenoxyphenyl)formamide
PubChem CID71419276
Molecular FormulaC16H17NO4
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC NameN-(2,3-dihydroxypropyl)-N-(4-phenoxyphenyl)formamide
SMILESO=CN(CC(O)CO)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C16H17NO4/c18-11-14(20)10-17(12-19)13-6-8-16(9-7-13)21-15-4-2-1-3-5-15/h1-9,12,14,18,20H,10-11H2
InChIKeyZULXIOJCYRZRAH-UHFFFAOYSA-N
XLogP1.79
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-N-(4-phenoxyphenyl)formamide?
The IUPAC name of N-(2,3-dihydroxypropyl)-N-(4-phenoxyphenyl)formamide (CID 71419276) is N-(2,3-dihydroxypropyl)-N-(4-phenoxyphenyl)formamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-N-(4-phenoxyphenyl)formamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-N-(4-phenoxyphenyl)formamide is O=CN(CC(O)CO)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-(2,3-dihydroxypropyl)-N-(4-phenoxyphenyl)formamide?
The InChIKey is ZULXIOJCYRZRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c18-11-14(20)10-17(12-19)13-6-8-16(9-7-13)21-15-4-2-1-3-5-15/h1-9,12,14,18,20H,10-11H2.
What are the key properties of N-(2,3-dihydroxypropyl)-N-(4-phenoxyphenyl)formamide?
N-(2,3-dihydroxypropyl)-N-(4-phenoxyphenyl)formamide has a molecular weight of 287.31 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-N-(4-phenoxyphenyl)formamide is sourced from PubChem (CID 71419276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).