2-(2-cyanophenoxy)-N-(3-hydroxybutyl)-N-methylbenzamide

C19H20N2O3 — CID 86783538

IUPAC2-(2-cyanophenoxy)-N-(3-hydroxybutyl)-N-methylbenzamide
SMILESCC(O)CCN(C)C(=O)c1ccccc1Oc1ccccc1C#N
InChIInChI=1S/C19H20N2O3/c1-14(22)11-12-21(2)19(23)16-8-4-6-10-18(16)24-17-9-5-3-7-15(17)13-20/h3-10,14,22H,11-12H2,1-2H3
InChIKeyNXNPRKCPJYQYLV-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.19
Rot. Bonds6

About 2-(2-cyanophenoxy)-N-(3-hydroxybutyl)-N-methylbenzamide

2-(2-cyanophenoxy)-N-(3-hydroxybutyl)-N-methylbenzamide (PubChem CID 86783538) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-(3-hydroxybutyl)-N-methylbenzamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-(3-hydroxybutyl)-N-methylbenzamide
PubChem CID86783538
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name2-(2-cyanophenoxy)-N-(3-hydroxybutyl)-N-methylbenzamide
SMILESCC(O)CCN(C)C(=O)c1ccccc1Oc1ccccc1C#N
InChIInChI=1S/C19H20N2O3/c1-14(22)11-12-21(2)19(23)16-8-4-6-10-18(16)24-17-9-5-3-7-15(17)13-20/h3-10,14,22H,11-12H2,1-2H3
InChIKeyNXNPRKCPJYQYLV-UHFFFAOYSA-N
XLogP3.19
TPSA73.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-cyanophenoxy)-N-(2-hydroxypentyl)benzamide
CID 110000213
2-(2-cyanophenoxy)-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
CID 110001117
2-[[3-hydroxybutyl(methyl)amino]methyl]benzonitrile
CID 71988951
N-(3-hydroxybutyl)-2,3,4-trimethoxy-N-methylbenzamide
CID 115673465
2-(2-cyanophenoxy)-N-[(2S)-2-hydroxypropyl]propanamide
CID 83030552
2-(2-cyanophenoxy)benzonitrile
CID 13435570
N-(3-hydroxybutyl)-2-methoxy-N-methylpyridine-3-carboxamide
CID 113248565
N-(3-hydroxybutyl)-N-methyl-2,2-diphenylacetamide
CID 111695707
N-(2-cyanophenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 115666891
2-(2-bromophenoxy)-N-(3-hydroxybutyl)-N-methylpropanamide
CID 111695569
4-chloro-2-ethoxy-N-(3-hydroxybutyl)-N-methylbenzamide
CID 110007455
N-(3-hydroxybutyl)-2-(2-methoxyphenyl)-N-methylacetamide
CID 111695957

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-(3-hydroxybutyl)-N-methylbenzamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-(3-hydroxybutyl)-N-methylbenzamide (CID 86783538) is 2-(2-cyanophenoxy)-N-(3-hydroxybutyl)-N-methylbenzamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-(3-hydroxybutyl)-N-methylbenzamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-(3-hydroxybutyl)-N-methylbenzamide is CC(O)CCN(C)C(=O)c1ccccc1Oc1ccccc1C#N.
What is the InChIKey of 2-(2-cyanophenoxy)-N-(3-hydroxybutyl)-N-methylbenzamide?
The InChIKey is NXNPRKCPJYQYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-14(22)11-12-21(2)19(23)16-8-4-6-10-18(16)24-17-9-5-3-7-15(17)13-20/h3-10,14,22H,11-12H2,1-2H3.
What are the key properties of 2-(2-cyanophenoxy)-N-(3-hydroxybutyl)-N-methylbenzamide?
2-(2-cyanophenoxy)-N-(3-hydroxybutyl)-N-methylbenzamide has a molecular weight of 324.38 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-(3-hydroxybutyl)-N-methylbenzamide is sourced from PubChem (CID 86783538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).