2-[(6-hydroxyhexylamino)methyl]benzamide

C14H22N2O2 — CID 114009117

IUPAC2-[(6-hydroxyhexylamino)methyl]benzamide
SMILESNC(=O)c1ccccc1CNCCCCCCO
InChIInChI=1S/C14H22N2O2/c15-14(18)13-8-4-3-7-12(13)11-16-9-5-1-2-6-10-17/h3-4,7-8,16-17H,1-2,5-6,9-11H2,(H2,15,18)
InChIKeyKRHUXLULYXTSBH-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.43
Rot. Bonds9

About 2-[(6-hydroxyhexylamino)methyl]benzamide

2-[(6-hydroxyhexylamino)methyl]benzamide (PubChem CID 114009117) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[(6-hydroxyhexylamino)methyl]benzamide.

Molecular Properties

Compound Name2-[(6-hydroxyhexylamino)methyl]benzamide
PubChem CID114009117
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-[(6-hydroxyhexylamino)methyl]benzamide
SMILESNC(=O)c1ccccc1CNCCCCCCO
InChIInChI=1S/C14H22N2O2/c15-14(18)13-8-4-3-7-12(13)11-16-9-5-1-2-6-10-17/h3-4,7-8,16-17H,1-2,5-6,9-11H2,(H2,15,18)
InChIKeyKRHUXLULYXTSBH-UHFFFAOYSA-N
XLogP1.43
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.43
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

2-[(6-hydroxyhexylamino)methyl]phenol
CID 82678109
4-[(2-ethylphenyl)methylamino]butan-1-ol
CID 64680949
4-[(5-hydroxypentylamino)methyl]-3-methylbenzamide
CID 107317528
2-[(benzylamino)methyl]benzamide
CID 22341819
2-[(2-pyrrolidin-1-ylethylamino)methyl]benzamide
CID 55097569
2-[[(2-hydroxyacetyl)amino]methyl]benzamide
CID 173201145
6-[[2-(trifluoromethyl)phenyl]methylamino]hexan-1-ol
CID 22006356
2-[(5-methoxypentylamino)methyl]benzoic acid
CID 114131402
2-[[[3-(cyclopropylamino)-3-oxopropyl]amino]methyl]benzamide
CID 79395029
2-[[(4-ethylphenyl)methylamino]methyl]benzamide
CID 106899663
2-[[2-(cyclohexen-1-yl)ethylamino]methyl]benzamide
CID 55061824
ethyl 2-[(2-carbamoylphenyl)methylamino]acetate
CID 60812400

Frequently Asked Questions

What is the IUPAC name of 2-[(6-hydroxyhexylamino)methyl]benzamide?
The IUPAC name of 2-[(6-hydroxyhexylamino)methyl]benzamide (CID 114009117) is 2-[(6-hydroxyhexylamino)methyl]benzamide.
What is the SMILES notation for 2-[(6-hydroxyhexylamino)methyl]benzamide?
The canonical SMILES for 2-[(6-hydroxyhexylamino)methyl]benzamide is NC(=O)c1ccccc1CNCCCCCCO.
What is the InChIKey of 2-[(6-hydroxyhexylamino)methyl]benzamide?
The InChIKey is KRHUXLULYXTSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c15-14(18)13-8-4-3-7-12(13)11-16-9-5-1-2-6-10-17/h3-4,7-8,16-17H,1-2,5-6,9-11H2,(H2,15,18).
What are the key properties of 2-[(6-hydroxyhexylamino)methyl]benzamide?
2-[(6-hydroxyhexylamino)methyl]benzamide has a molecular weight of 250.34 g/mol, XLogP of 1.43, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-hydroxyhexylamino)methyl]benzamide is sourced from PubChem (CID 114009117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).