3-[[(3-hydroxy-4-methylpentyl)amino]methyl]benzamide

C14H22N2O2 — CID 111468183

IUPAC3-[[(3-hydroxy-4-methylpentyl)amino]methyl]benzamide
SMILESCC(C)C(O)CCNCc1cccc(C(N)=O)c1
InChIInChI=1S/C14H22N2O2/c1-10(2)13(17)6-7-16-9-11-4-3-5-12(8-11)14(15)18/h3-5,8,10,13,16-17H,6-7,9H2,1-2H3,(H2,15,18)
InChIKeyOXIFSBXKDCUKOY-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.28
Rot. Bonds7

About 3-[[(3-hydroxy-4-methylpentyl)amino]methyl]benzamide

3-[[(3-hydroxy-4-methylpentyl)amino]methyl]benzamide (PubChem CID 111468183) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-[[(3-hydroxy-4-methylpentyl)amino]methyl]benzamide.

Molecular Properties

Compound Name3-[[(3-hydroxy-4-methylpentyl)amino]methyl]benzamide
PubChem CID111468183
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-[[(3-hydroxy-4-methylpentyl)amino]methyl]benzamide
SMILESCC(C)C(O)CCNCc1cccc(C(N)=O)c1
InChIInChI=1S/C14H22N2O2/c1-10(2)13(17)6-7-16-9-11-4-3-5-12(8-11)14(15)18/h3-5,8,10,13,16-17H,6-7,9H2,1-2H3,(H2,15,18)
InChIKeyOXIFSBXKDCUKOY-UHFFFAOYSA-N
XLogP1.28
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.28
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

3-[[(4-hydroxy-2-methylbutyl)amino]methyl]benzamide
CID 66089913
3-[(3-carbamoylphenyl)methylamino]propanoic acid
CID 43466251
3-[[2-(tert-butylamino)ethylamino]methyl]benzamide
CID 107444865
3-[[(3-amino-2-hydroxy-3-oxopropyl)amino]methyl]benzamide
CID 114153512
3-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]benzamide
CID 103743332
3-[[3-(dimethylamino)propylamino]methyl]benzamide
CID 28583702
3-[(3-methylsulfanylpropylamino)methyl]benzamide
CID 43426792
3-[4-[(3-methylbutylamino)methyl]phenyl]benzamide
CID 25213074
3-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]benzamide
CID 61479913
3-[[2-[ethyl(methyl)amino]ethylamino]methyl]benzamide
CID 55139292
3-[(2-cyanopropylamino)methyl]benzamide
CID 63277351
3-(2-methylpropyl)benzamide
CID 23130390

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-hydroxy-4-methylpentyl)amino]methyl]benzamide?
The IUPAC name of 3-[[(3-hydroxy-4-methylpentyl)amino]methyl]benzamide (CID 111468183) is 3-[[(3-hydroxy-4-methylpentyl)amino]methyl]benzamide.
What is the SMILES notation for 3-[[(3-hydroxy-4-methylpentyl)amino]methyl]benzamide?
The canonical SMILES for 3-[[(3-hydroxy-4-methylpentyl)amino]methyl]benzamide is CC(C)C(O)CCNCc1cccc(C(N)=O)c1.
What is the InChIKey of 3-[[(3-hydroxy-4-methylpentyl)amino]methyl]benzamide?
The InChIKey is OXIFSBXKDCUKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(2)13(17)6-7-16-9-11-4-3-5-12(8-11)14(15)18/h3-5,8,10,13,16-17H,6-7,9H2,1-2H3,(H2,15,18).
What are the key properties of 3-[[(3-hydroxy-4-methylpentyl)amino]methyl]benzamide?
3-[[(3-hydroxy-4-methylpentyl)amino]methyl]benzamide has a molecular weight of 250.34 g/mol, XLogP of 1.28, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-hydroxy-4-methylpentyl)amino]methyl]benzamide is sourced from PubChem (CID 111468183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).