2-cyano-N-(3-hydroxyphenyl)butanamide

C11H12N2O2 — CID 107857394

IUPAC2-cyano-N-(3-hydroxyphenyl)butanamide
SMILESCCC(C#N)C(=O)Nc1cccc(O)c1
InChIInChI=1S/C11H12N2O2/c1-2-8(7-12)11(15)13-9-4-3-5-10(14)6-9/h3-6,8,14H,2H2,1H3,(H,13,15)
InChIKeyOBHYPLBWVCPQKB-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.88
Rot. Bonds3

About 2-cyano-N-(3-hydroxyphenyl)butanamide

2-cyano-N-(3-hydroxyphenyl)butanamide (PubChem CID 107857394) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-cyano-N-(3-hydroxyphenyl)butanamide.

Molecular Properties

Compound Name2-cyano-N-(3-hydroxyphenyl)butanamide
PubChem CID107857394
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name2-cyano-N-(3-hydroxyphenyl)butanamide
SMILESCCC(C#N)C(=O)Nc1cccc(O)c1
InChIInChI=1S/C11H12N2O2/c1-2-8(7-12)11(15)13-9-4-3-5-10(14)6-9/h3-6,8,14H,2H2,1H3,(H,13,15)
InChIKeyOBHYPLBWVCPQKB-UHFFFAOYSA-N
XLogP1.88
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-(3-methylsulfanylphenyl)butanamide
CID 55207141
N-(4-bromophenyl)-2-cyanobutanamide
CID 55207882
(2R)-2-hydroxy-N-(3-hydroxyphenyl)propanamide
CID 130735484
2-cyano-N-(3-hydroxyphenyl)acetamide
CID 22099165
N-(1-benzothiophen-5-yl)-2-cyanobutanamide
CID 65473775
2-cyano-N-(4-ethoxy-3-methylphenyl)butanamide
CID 115188126
2,2-difluoro-N-(3-hydroxyphenyl)acetamide
CID 103600554
N-(3-hydroxyphenyl)-2,3,3-trimethylbutanamide
CID 70969144
2-cyano-N-thiophen-2-ylbutanamide
CID 115188104
N-(4-chloro-2-methylphenyl)-2-cyanobutanamide
CID 55207021
2-(butan-2-ylamino)-N-(3-hydroxyphenyl)acetamide
CID 61166125
(2R)-N-(3-hydroxyphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 675116

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(3-hydroxyphenyl)butanamide?
The IUPAC name of 2-cyano-N-(3-hydroxyphenyl)butanamide (CID 107857394) is 2-cyano-N-(3-hydroxyphenyl)butanamide.
What is the SMILES notation for 2-cyano-N-(3-hydroxyphenyl)butanamide?
The canonical SMILES for 2-cyano-N-(3-hydroxyphenyl)butanamide is CCC(C#N)C(=O)Nc1cccc(O)c1.
What is the InChIKey of 2-cyano-N-(3-hydroxyphenyl)butanamide?
The InChIKey is OBHYPLBWVCPQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-2-8(7-12)11(15)13-9-4-3-5-10(14)6-9/h3-6,8,14H,2H2,1H3,(H,13,15).
What are the key properties of 2-cyano-N-(3-hydroxyphenyl)butanamide?
2-cyano-N-(3-hydroxyphenyl)butanamide has a molecular weight of 204.23 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(3-hydroxyphenyl)butanamide is sourced from PubChem (CID 107857394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).