2-hydroxy-3-(pentylamino)benzamide

C12H18N2O2 — CID 67175041

IUPAC2-hydroxy-3-(pentylamino)benzamide
SMILESCCCCCNc1cccc(C(N)=O)c1O
InChIInChI=1S/C12H18N2O2/c1-2-3-4-8-14-10-7-5-6-9(11(10)15)12(13)16/h5-7,14-15H,2-4,8H2,1H3,(H2,13,16)
InChIKeyHALROHWHMKBLPX-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.09
Rot. Bonds6

About 2-hydroxy-3-(pentylamino)benzamide

2-hydroxy-3-(pentylamino)benzamide (PubChem CID 67175041) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-hydroxy-3-(pentylamino)benzamide.

Molecular Properties

Compound Name2-hydroxy-3-(pentylamino)benzamide
PubChem CID67175041
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-hydroxy-3-(pentylamino)benzamide
SMILESCCCCCNc1cccc(C(N)=O)c1O
InChIInChI=1S/C12H18N2O2/c1-2-3-4-8-14-10-7-5-6-9(11(10)15)12(13)16/h5-7,14-15H,2-4,8H2,1H3,(H2,13,16)
InChIKeyHALROHWHMKBLPX-UHFFFAOYSA-N
XLogP2.09
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(heptylamino)-2-methylbenzamide
CID 43694125
2-methyl-3-(pentylamino)benzoic acid
CID 43737202
2-hydroxy-3-(pentylamino)benzaldehyde
CID 88730085
2-(tetradecylamino)benzoic acid
CID 15090293
3-acetamido-2-hydroxybenzamide
CID 66833068
2-[3-(ethylamino)propylamino]benzamide
CID 61020118
ethane;hexane;2-hydroxybenzamide
CID 143703157
2-(hexadecylamino)phenol
CID 154256819
2-(octadecylamino)-6-phenylphenol
CID 138395030
2,3-bis(octylamino)phenol
CID 67224440
2-fluoro-6-(pentylamino)benzenecarbothioamide
CID 79513321
1-N,2-N-di(nonyl)benzene-1,2-diamine
CID 141284626

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(pentylamino)benzamide?
The IUPAC name of 2-hydroxy-3-(pentylamino)benzamide (CID 67175041) is 2-hydroxy-3-(pentylamino)benzamide.
What is the SMILES notation for 2-hydroxy-3-(pentylamino)benzamide?
The canonical SMILES for 2-hydroxy-3-(pentylamino)benzamide is CCCCCNc1cccc(C(N)=O)c1O.
What is the InChIKey of 2-hydroxy-3-(pentylamino)benzamide?
The InChIKey is HALROHWHMKBLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-2-3-4-8-14-10-7-5-6-9(11(10)15)12(13)16/h5-7,14-15H,2-4,8H2,1H3,(H2,13,16).
What are the key properties of 2-hydroxy-3-(pentylamino)benzamide?
2-hydroxy-3-(pentylamino)benzamide has a molecular weight of 222.29 g/mol, XLogP of 2.09, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(pentylamino)benzamide is sourced from PubChem (CID 67175041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).