4-[[(4-hydroxy-1-phenylbutyl)amino]methyl]benzamide

C18H22N2O2 — CID 111449752

IUPAC4-[[(4-hydroxy-1-phenylbutyl)amino]methyl]benzamide
SMILESNC(=O)c1ccc(CNC(CCCO)c2ccccc2)cc1
InChIInChI=1S/C18H22N2O2/c19-18(22)16-10-8-14(9-11-16)13-20-17(7-4-12-21)15-5-2-1-3-6-15/h1-3,5-6,8-11,17,20-21H,4,7,12-13H2,(H2,19,22)
InChIKeyOYXJIHTZJXRIMT-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.39
Rot. Bonds8

About 4-[[(4-hydroxy-1-phenylbutyl)amino]methyl]benzamide

4-[[(4-hydroxy-1-phenylbutyl)amino]methyl]benzamide (PubChem CID 111449752) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-[[(4-hydroxy-1-phenylbutyl)amino]methyl]benzamide.

Molecular Properties

Compound Name4-[[(4-hydroxy-1-phenylbutyl)amino]methyl]benzamide
PubChem CID111449752
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name4-[[(4-hydroxy-1-phenylbutyl)amino]methyl]benzamide
SMILESNC(=O)c1ccc(CNC(CCCO)c2ccccc2)cc1
InChIInChI=1S/C18H22N2O2/c19-18(22)16-10-8-14(9-11-16)13-20-17(7-4-12-21)15-5-2-1-3-6-15/h1-3,5-6,8-11,17,20-21H,4,7,12-13H2,(H2,19,22)
InChIKeyOYXJIHTZJXRIMT-UHFFFAOYSA-N
XLogP2.39
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]benzamide
CID 103766364
4-[[[(1R)-2-methyl-1-phenylpropyl]amino]methyl]benzamide
CID 34716636
[4-[(1-phenylpentylamino)methyl]phenyl]methanol
CID 107230172
4-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]benzamide
CID 103700904
4-[(1-phenylpropan-2-ylamino)methyl]benzamide
CID 63012099
1-(4-hydroxy-1-phenylbutyl)-3-[(4-methylphenyl)methyl]urea
CID 111450237
4-N-(2-hydroxy-1-phenylethyl)benzene-1,4-dicarboxamide
CID 63182176
3-[(4-methylphenyl)methylamino]-3-phenylpropanamide
CID 22386201
(3R)-3-[(4-methylsulfanylphenyl)methylamino]-3-phenylpropan-1-ol
CID 111449945
4-[(1-phenylhexylamino)methyl]phenol
CID 115715711
(3R)-3-(benzylamino)-3-phenylpropanoic acid
CID 753607
4-phenyl-4-(quinolin-2-ylmethylamino)butan-1-ol
CID 111467260

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-hydroxy-1-phenylbutyl)amino]methyl]benzamide?
The IUPAC name of 4-[[(4-hydroxy-1-phenylbutyl)amino]methyl]benzamide (CID 111449752) is 4-[[(4-hydroxy-1-phenylbutyl)amino]methyl]benzamide.
What is the SMILES notation for 4-[[(4-hydroxy-1-phenylbutyl)amino]methyl]benzamide?
The canonical SMILES for 4-[[(4-hydroxy-1-phenylbutyl)amino]methyl]benzamide is NC(=O)c1ccc(CNC(CCCO)c2ccccc2)cc1.
What is the InChIKey of 4-[[(4-hydroxy-1-phenylbutyl)amino]methyl]benzamide?
The InChIKey is OYXJIHTZJXRIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c19-18(22)16-10-8-14(9-11-16)13-20-17(7-4-12-21)15-5-2-1-3-6-15/h1-3,5-6,8-11,17,20-21H,4,7,12-13H2,(H2,19,22).
What are the key properties of 4-[[(4-hydroxy-1-phenylbutyl)amino]methyl]benzamide?
4-[[(4-hydroxy-1-phenylbutyl)amino]methyl]benzamide has a molecular weight of 298.39 g/mol, XLogP of 2.39, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-hydroxy-1-phenylbutyl)amino]methyl]benzamide is sourced from PubChem (CID 111449752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).