3-[[[2-hydroxy-3-(4-methylphenoxy)propyl]-[(2-methylphenyl)methyl]amino]methyl]benzamide

C26H30N2O3 — CID 167570832

IUPAC3-[[[2-hydroxy-3-(4-methylphenoxy)propyl]-[(2-methylphenyl)methyl]amino]methyl]benzamide
SMILESCc1ccc(OCC(O)CN(Cc2cccc(C(N)=O)c2)Cc2ccccc2C)cc1
InChIInChI=1S/C26H30N2O3/c1-19-10-12-25(13-11-19)31-18-24(29)17-28(16-23-8-4-3-6-20(23)2)15-21-7-5-9-22(14-21)26(27)30/h3-14,24,29H,15-18H2,1-2H3,(H2,27,30)
InChIKeyYLZSKMJBCRCAPA-UHFFFAOYSA-N
MW418.54 g/mol
LogP3.84
Rot. Bonds10

About 3-[[[2-hydroxy-3-(4-methylphenoxy)propyl]-[(2-methylphenyl)methyl]amino]methyl]benzamide

3-[[[2-hydroxy-3-(4-methylphenoxy)propyl]-[(2-methylphenyl)methyl]amino]methyl]benzamide (PubChem CID 167570832) has the molecular formula C26H30N2O3 and a molecular weight of 418.54 g/mol. Its IUPAC name is 3-[[[2-hydroxy-3-(4-methylphenoxy)propyl]-[(2-methylphenyl)methyl]amino]methyl]benzamide.

Molecular Properties

Compound Name3-[[[2-hydroxy-3-(4-methylphenoxy)propyl]-[(2-methylphenyl)methyl]amino]methyl]benzamide
PubChem CID167570832
Molecular FormulaC26H30N2O3
Molecular Weight418.54 g/mol
Exact Mass418.23
IUPAC Name3-[[[2-hydroxy-3-(4-methylphenoxy)propyl]-[(2-methylphenyl)methyl]amino]methyl]benzamide
SMILESCc1ccc(OCC(O)CN(Cc2cccc(C(N)=O)c2)Cc2ccccc2C)cc1
InChIInChI=1S/C26H30N2O3/c1-19-10-12-25(13-11-19)31-18-24(29)17-28(16-23-8-4-3-6-20(23)2)15-21-7-5-9-22(14-21)26(27)30/h3-14,24,29H,15-18H2,1-2H3,(H2,27,30)
InChIKeyYLZSKMJBCRCAPA-UHFFFAOYSA-N
XLogP3.84
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[[2-hydroxy-3-(4-methylphenoxy)propyl]-[(2-methylphenyl)methyl]amino]methyl]benzonitrile
CID 167570831
1-[(2-methylphenyl)methyl-propylamino]-3-phenoxypropan-2-ol
CID 24717323
(2R)-1-[(2-methylphenyl)methyl-propylamino]-3-phenoxypropan-2-ol
CID 93162759
1-[4-[3-(dibenzylamino)-2-hydroxypropoxy]phenyl]ethanone
CID 55361614
1-[(4-methoxyphenyl)methyl-[(3-methylphenyl)methyl]amino]-3-phenoxypropan-2-ol
CID 24717291
1-(dibenzylamino)-3-(3-methylphenoxy)propan-2-ol
CID 2916434
4-[3-[benzyl(methyl)amino]-2-hydroxypropoxy]benzamide
CID 109415224
1-[1H-indol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(pyridin-3-ylmethyl)amino]propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(pyridin-4-ylmethyl)amino]propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(quinolin-6-ylmethyl)amino]propan-2-ol
CID 167566927
(2R)-1-[benzyl-[(4-methylphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 93163727
(2S)-1-[benzyl-[(2-methylphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 93164962
(2R)-1-[3-methylbutyl-[(3-methylphenyl)methyl]amino]-3-phenoxypropan-2-ol
CID 93163124
[(2R)-3-[1,3-benzodioxol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-2-hydroxypropyl] butanoate
CID 93165048

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-hydroxy-3-(4-methylphenoxy)propyl]-[(2-methylphenyl)methyl]amino]methyl]benzamide?
The IUPAC name of 3-[[[2-hydroxy-3-(4-methylphenoxy)propyl]-[(2-methylphenyl)methyl]amino]methyl]benzamide (CID 167570832) is 3-[[[2-hydroxy-3-(4-methylphenoxy)propyl]-[(2-methylphenyl)methyl]amino]methyl]benzamide.
What is the SMILES notation for 3-[[[2-hydroxy-3-(4-methylphenoxy)propyl]-[(2-methylphenyl)methyl]amino]methyl]benzamide?
The canonical SMILES for 3-[[[2-hydroxy-3-(4-methylphenoxy)propyl]-[(2-methylphenyl)methyl]amino]methyl]benzamide is Cc1ccc(OCC(O)CN(Cc2cccc(C(N)=O)c2)Cc2ccccc2C)cc1.
What is the InChIKey of 3-[[[2-hydroxy-3-(4-methylphenoxy)propyl]-[(2-methylphenyl)methyl]amino]methyl]benzamide?
The InChIKey is YLZSKMJBCRCAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O3/c1-19-10-12-25(13-11-19)31-18-24(29)17-28(16-23-8-4-3-6-20(23)2)15-21-7-5-9-22(14-21)26(27)30/h3-14,24,29H,15-18H2,1-2H3,(H2,27,30).
What are the key properties of 3-[[[2-hydroxy-3-(4-methylphenoxy)propyl]-[(2-methylphenyl)methyl]amino]methyl]benzamide?
3-[[[2-hydroxy-3-(4-methylphenoxy)propyl]-[(2-methylphenyl)methyl]amino]methyl]benzamide has a molecular weight of 418.54 g/mol, XLogP of 3.84, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-hydroxy-3-(4-methylphenoxy)propyl]-[(2-methylphenyl)methyl]amino]methyl]benzamide is sourced from PubChem (CID 167570832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).