2-(5-hydroxypentylamino)-6-methylbenzamide

C13H20N2O2 — CID 111770358

IUPAC2-(5-hydroxypentylamino)-6-methylbenzamide
SMILESCc1cccc(NCCCCCO)c1C(N)=O
InChIInChI=1S/C13H20N2O2/c1-10-6-5-7-11(12(10)13(14)17)15-8-3-2-4-9-16/h5-7,15-16H,2-4,8-9H2,1H3,(H2,14,17)
InChIKeyBJMOQIZPTIVCKY-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.67
Rot. Bonds7

About 2-(5-hydroxypentylamino)-6-methylbenzamide

2-(5-hydroxypentylamino)-6-methylbenzamide (PubChem CID 111770358) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(5-hydroxypentylamino)-6-methylbenzamide.

Molecular Properties

Compound Name2-(5-hydroxypentylamino)-6-methylbenzamide
PubChem CID111770358
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-(5-hydroxypentylamino)-6-methylbenzamide
SMILESCc1cccc(NCCCCCO)c1C(N)=O
InChIInChI=1S/C13H20N2O2/c1-10-6-5-7-11(12(10)13(14)17)15-8-3-2-4-9-16/h5-7,15-16H,2-4,8-9H2,1H3,(H2,14,17)
InChIKeyBJMOQIZPTIVCKY-UHFFFAOYSA-N
XLogP1.67
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(5-hydroxypentylamino)anilino]pentan-1-ol
CID 165350008
3-(2-methylanilino)propan-1-ol
CID 18005925
3-(heptylamino)-2-methylbenzamide
CID 43694125
2-(6-hydroxyhexylcarbamoyl)-3,6-dimethylbenzoic acid
CID 107846487
2-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-6-methylbenzamide
CID 60536680
2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-6-methylbenzamide
CID 87029576
2-(4-tert-butylsulfanylbutanoylamino)-6-methylbenzamide
CID 75388288
4-amino-2-(6-hydroxyhexylamino)benzamide
CID 107844200
4-(6-hydroxyhexylamino)-3-methylbenzoic acid
CID 114009295
4-amino-3-(6-hydroxyhexylamino)benzamide
CID 107843999
3-(4-hydroxybutylamino)benzene-1,2-diol
CID 54456176
N'-(2,3-dimethylphenyl)pentane-1,5-diamine
CID 129283902

Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxypentylamino)-6-methylbenzamide?
The IUPAC name of 2-(5-hydroxypentylamino)-6-methylbenzamide (CID 111770358) is 2-(5-hydroxypentylamino)-6-methylbenzamide.
What is the SMILES notation for 2-(5-hydroxypentylamino)-6-methylbenzamide?
The canonical SMILES for 2-(5-hydroxypentylamino)-6-methylbenzamide is Cc1cccc(NCCCCCO)c1C(N)=O.
What is the InChIKey of 2-(5-hydroxypentylamino)-6-methylbenzamide?
The InChIKey is BJMOQIZPTIVCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10-6-5-7-11(12(10)13(14)17)15-8-3-2-4-9-16/h5-7,15-16H,2-4,8-9H2,1H3,(H2,14,17).
What are the key properties of 2-(5-hydroxypentylamino)-6-methylbenzamide?
2-(5-hydroxypentylamino)-6-methylbenzamide has a molecular weight of 236.31 g/mol, XLogP of 1.67, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxypentylamino)-6-methylbenzamide is sourced from PubChem (CID 111770358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).