2-(4-cyanophenyl)-N-(1-hydroxybutan-2-yl)acetamide

C13H16N2O2 — CID 103944313

IUPAC2-(4-cyanophenyl)-N-(1-hydroxybutan-2-yl)acetamide
SMILESCCC(CO)NC(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C13H16N2O2/c1-2-12(9-16)15-13(17)7-10-3-5-11(8-14)6-4-10/h3-6,12,16H,2,7,9H2,1H3,(H,15,17)
InChIKeySWEBYRMTSOANRZ-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.99
Rot. Bonds5

About 2-(4-cyanophenyl)-N-(1-hydroxybutan-2-yl)acetamide

2-(4-cyanophenyl)-N-(1-hydroxybutan-2-yl)acetamide (PubChem CID 103944313) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-(4-cyanophenyl)-N-(1-hydroxybutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-cyanophenyl)-N-(1-hydroxybutan-2-yl)acetamide
PubChem CID103944313
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-(4-cyanophenyl)-N-(1-hydroxybutan-2-yl)acetamide
SMILESCCC(CO)NC(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C13H16N2O2/c1-2-12(9-16)15-13(17)7-10-3-5-11(8-14)6-4-10/h3-6,12,16H,2,7,9H2,1H3,(H,15,17)
InChIKeySWEBYRMTSOANRZ-UHFFFAOYSA-N
XLogP0.99
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-cyanophenyl)-N-(3-ethylpentan-2-yl)acetamide
CID 55259609
N-[(2R)-1-hydroxybutan-2-yl]-2-pyridin-4-ylacetamide
CID 103961002
2-(4-cyanophenoxy)-N-[(2S)-1-hydroxybutan-2-yl]propanamide
CID 104981500
2-(4-cyanophenyl)-N-heptan-2-ylacetamide
CID 62404717
2-[[2-(4-cyanophenyl)acetyl]amino]-N-propylpropanamide
CID 62404547
2-[[2-(4-cyanophenyl)acetyl]amino]-N,N-diethylpropanamide
CID 115599662
2-(4-cyanophenyl)-N-pent-4-yn-2-ylacetamide
CID 113245290
3-[[2-(4-cyanophenyl)acetyl]amino]butanamide
CID 115664791
N-[(2R)-1-hydroxybutan-2-yl]-2-thiophen-3-ylacetamide
CID 103920243
2-(4-cyanophenyl)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 62403132
N-[4-[2-(1-hydroxybutan-2-ylamino)-2-oxoethyl]phenyl]-2,3-dimethylpentanamide
CID 110025985
N-(1,3-dihydroxypropan-2-yl)-2-(4-methoxyphenyl)acetamide
CID 65315308

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenyl)-N-(1-hydroxybutan-2-yl)acetamide?
The IUPAC name of 2-(4-cyanophenyl)-N-(1-hydroxybutan-2-yl)acetamide (CID 103944313) is 2-(4-cyanophenyl)-N-(1-hydroxybutan-2-yl)acetamide.
What is the SMILES notation for 2-(4-cyanophenyl)-N-(1-hydroxybutan-2-yl)acetamide?
The canonical SMILES for 2-(4-cyanophenyl)-N-(1-hydroxybutan-2-yl)acetamide is CCC(CO)NC(=O)Cc1ccc(C#N)cc1.
What is the InChIKey of 2-(4-cyanophenyl)-N-(1-hydroxybutan-2-yl)acetamide?
The InChIKey is SWEBYRMTSOANRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-2-12(9-16)15-13(17)7-10-3-5-11(8-14)6-4-10/h3-6,12,16H,2,7,9H2,1H3,(H,15,17).
What are the key properties of 2-(4-cyanophenyl)-N-(1-hydroxybutan-2-yl)acetamide?
2-(4-cyanophenyl)-N-(1-hydroxybutan-2-yl)acetamide has a molecular weight of 232.28 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenyl)-N-(1-hydroxybutan-2-yl)acetamide is sourced from PubChem (CID 103944313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).