2-[(2-hydroxyphenyl)methyl]butanediamide

C11H14N2O3 — CID 70063136

IUPAC2-[(2-hydroxyphenyl)methyl]butanediamide
SMILESNC(=O)CC(Cc1ccccc1O)C(N)=O
InChIInChI=1S/C11H14N2O3/c12-10(15)6-8(11(13)16)5-7-3-1-2-4-9(7)14/h1-4,8,14H,5-6H2,(H2,12,15)(H2,13,16)
InChIKeyMINSWFHVNOFLSW-UHFFFAOYSA-N
MW222.24 g/mol
LogP-0.09
Rot. Bonds5

About 2-[(2-hydroxyphenyl)methyl]butanediamide

2-[(2-hydroxyphenyl)methyl]butanediamide (PubChem CID 70063136) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-[(2-hydroxyphenyl)methyl]butanediamide.

Molecular Properties

Compound Name2-[(2-hydroxyphenyl)methyl]butanediamide
PubChem CID70063136
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name2-[(2-hydroxyphenyl)methyl]butanediamide
SMILESNC(=O)CC(Cc1ccccc1O)C(N)=O
InChIInChI=1S/C11H14N2O3/c12-10(15)6-8(11(13)16)5-7-3-1-2-4-9(7)14/h1-4,8,14H,5-6H2,(H2,12,15)(H2,13,16)
InChIKeyMINSWFHVNOFLSW-UHFFFAOYSA-N
XLogP-0.09
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxyphenyl)methyl]butanediamide?
The IUPAC name of 2-[(2-hydroxyphenyl)methyl]butanediamide (CID 70063136) is 2-[(2-hydroxyphenyl)methyl]butanediamide.
What is the SMILES notation for 2-[(2-hydroxyphenyl)methyl]butanediamide?
The canonical SMILES for 2-[(2-hydroxyphenyl)methyl]butanediamide is NC(=O)CC(Cc1ccccc1O)C(N)=O.
What is the InChIKey of 2-[(2-hydroxyphenyl)methyl]butanediamide?
The InChIKey is MINSWFHVNOFLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c12-10(15)6-8(11(13)16)5-7-3-1-2-4-9(7)14/h1-4,8,14H,5-6H2,(H2,12,15)(H2,13,16).
What are the key properties of 2-[(2-hydroxyphenyl)methyl]butanediamide?
2-[(2-hydroxyphenyl)methyl]butanediamide has a molecular weight of 222.24 g/mol, XLogP of -0.09, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxyphenyl)methyl]butanediamide is sourced from PubChem (CID 70063136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).