4-[(5-hydroxypentylamino)methyl]-3-methylbenzamide

C14H22N2O2 — CID 107317528

IUPAC4-[(5-hydroxypentylamino)methyl]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1CNCCCCCO
InChIInChI=1S/C14H22N2O2/c1-11-9-12(14(15)18)5-6-13(11)10-16-7-3-2-4-8-17/h5-6,9,16-17H,2-4,7-8,10H2,1H3,(H2,15,18)
InChIKeyRFDGJJGFUORTBW-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.35
Rot. Bonds8

About 4-[(5-hydroxypentylamino)methyl]-3-methylbenzamide

4-[(5-hydroxypentylamino)methyl]-3-methylbenzamide (PubChem CID 107317528) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-[(5-hydroxypentylamino)methyl]-3-methylbenzamide.

Molecular Properties

Compound Name4-[(5-hydroxypentylamino)methyl]-3-methylbenzamide
PubChem CID107317528
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name4-[(5-hydroxypentylamino)methyl]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1CNCCCCCO
InChIInChI=1S/C14H22N2O2/c1-11-9-12(14(15)18)5-6-13(11)10-16-7-3-2-4-8-17/h5-6,9,16-17H,2-4,7-8,10H2,1H3,(H2,15,18)
InChIKeyRFDGJJGFUORTBW-UHFFFAOYSA-N
XLogP1.35
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.35
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

4-[[(5-amino-5-oxopentyl)amino]methyl]-3-methylbenzamide
CID 106237505
N'-hydroxy-4-[(5-hydroxypentylamino)methyl]-3-methylbenzenecarboximidamide
CID 107317916
N'-hydroxy-4-[(6-hydroxyhexylamino)methyl]-3-methylbenzenecarboximidamide
CID 107853266
4-[[(5-hydroxy-2,2-dimethylpentyl)amino]methyl]-3-methylbenzamide
CID 106147368
4-[(2,2-dimethylpropylamino)methyl]-3-methylbenzamide
CID 114479983
3-methyl-4-[(2-pyridin-4-ylethylamino)methyl]benzamide
CID 114479915
4-fluoro-3-[(3-hydroxypropylamino)methyl]benzamide
CID 43499997
2-[(6-hydroxyhexylamino)methyl]benzamide
CID 114009117
4-[[(4-hydroxyphenyl)methylamino]methyl]-3-methylbenzamide
CID 114480871
3-chloro-4-[(pentylamino)methyl]benzamide
CID 102663787
4-[[(2-ethyl-2-hydroxybutyl)amino]methyl]-3-methylbenzamide
CID 114480433
4-[[(1-hydroxycyclobutyl)methylamino]methyl]-3-methylbenzamide
CID 114480854

Frequently Asked Questions

What is the IUPAC name of 4-[(5-hydroxypentylamino)methyl]-3-methylbenzamide?
The IUPAC name of 4-[(5-hydroxypentylamino)methyl]-3-methylbenzamide (CID 107317528) is 4-[(5-hydroxypentylamino)methyl]-3-methylbenzamide.
What is the SMILES notation for 4-[(5-hydroxypentylamino)methyl]-3-methylbenzamide?
The canonical SMILES for 4-[(5-hydroxypentylamino)methyl]-3-methylbenzamide is Cc1cc(C(N)=O)ccc1CNCCCCCO.
What is the InChIKey of 4-[(5-hydroxypentylamino)methyl]-3-methylbenzamide?
The InChIKey is RFDGJJGFUORTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11-9-12(14(15)18)5-6-13(11)10-16-7-3-2-4-8-17/h5-6,9,16-17H,2-4,7-8,10H2,1H3,(H2,15,18).
What are the key properties of 4-[(5-hydroxypentylamino)methyl]-3-methylbenzamide?
4-[(5-hydroxypentylamino)methyl]-3-methylbenzamide has a molecular weight of 250.34 g/mol, XLogP of 1.35, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-hydroxypentylamino)methyl]-3-methylbenzamide is sourced from PubChem (CID 107317528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).