5-[2-[benzyl-[2-hydroxy-4-(2-methylphenyl)butyl]amino]ethoxy]-2-hydroxybenzamide

C27H32N2O4 — CID 70575623

IUPAC5-[2-[benzyl-[2-hydroxy-4-(2-methylphenyl)butyl]amino]ethoxy]-2-hydroxybenzamide
SMILESCc1ccccc1CCC(O)CN(CCOc1ccc(O)c(C(N)=O)c1)Cc1ccccc1
InChIInChI=1S/C27H32N2O4/c1-20-7-5-6-10-22(20)11-12-23(30)19-29(18-21-8-3-2-4-9-21)15-16-33-24-13-14-26(31)25(17-24)27(28)32/h2-10,13-14,17,23,30-31H,11-12,15-16,18-19H2,1H3,(H2,28,32)
InChIKeyWMWFWPYVNRPMHE-UHFFFAOYSA-N
MW448.56 g/mol
LogP3.67
Rot. Bonds12

About 5-[2-[benzyl-[2-hydroxy-4-(2-methylphenyl)butyl]amino]ethoxy]-2-hydroxybenzamide

5-[2-[benzyl-[2-hydroxy-4-(2-methylphenyl)butyl]amino]ethoxy]-2-hydroxybenzamide (PubChem CID 70575623) has the molecular formula C27H32N2O4 and a molecular weight of 448.56 g/mol. Its IUPAC name is 5-[2-[benzyl-[2-hydroxy-4-(2-methylphenyl)butyl]amino]ethoxy]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-[2-[benzyl-[2-hydroxy-4-(2-methylphenyl)butyl]amino]ethoxy]-2-hydroxybenzamide
PubChem CID70575623
Molecular FormulaC27H32N2O4
Molecular Weight448.56 g/mol
Exact Mass448.24
IUPAC Name5-[2-[benzyl-[2-hydroxy-4-(2-methylphenyl)butyl]amino]ethoxy]-2-hydroxybenzamide
SMILESCc1ccccc1CCC(O)CN(CCOc1ccc(O)c(C(N)=O)c1)Cc1ccccc1
InChIInChI=1S/C27H32N2O4/c1-20-7-5-6-10-22(20)11-12-23(30)19-29(18-21-8-3-2-4-9-21)15-16-33-24-13-14-26(31)25(17-24)27(28)32/h2-10,13-14,17,23,30-31H,11-12,15-16,18-19H2,1H3,(H2,28,32)
InChIKeyWMWFWPYVNRPMHE-UHFFFAOYSA-N
XLogP3.67
TPSA96.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.56
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-[benzyl-[2-hydroxy-3-[4-(2-methoxyethoxy)phenoxy]propyl]amino]ethoxy]-2-hydroxybenzamide
CID 54392941
2-hydroxy-5-[1-[[2-hydroxy-4-(2-methoxyphenyl)butyl]amino]-3-phenylpropan-2-yl]oxybenzamide
CID 70576422
3-[[[2-hydroxy-3-(4-methylphenoxy)propyl]-[(2-methylphenyl)methyl]amino]methyl]benzamide
CID 167570832
1-[2-methoxyethyl-[(2-methylphenyl)methyl]amino]-3-phenylpropan-2-ol
CID 24713590
(2S)-1-[benzyl-[(2-methylphenyl)methyl]amino]hex-5-en-2-ol
CID 93164977
2-hydroxy-5-[2-[(2-hydroxy-2-phenylethyl)amino]ethoxy]benzamide
CID 23276135
1-[benzyl(2-methoxyethyl)amino]pentan-2-ol
CID 24713640
(2S)-1-[benzyl(propyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 93161495
1-amino-4-(2-methyl-4-phenylmethoxyphenyl)butan-2-ol
CID 83937170
1-[(2-methylphenyl)methyl-propylamino]-3-phenoxypropan-2-ol
CID 24717323
(2R)-1-[(2-methylphenyl)methyl-propylamino]-3-phenoxypropan-2-ol
CID 93162759
(2S)-1-[benzyl-[(2-methylphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 93164962

Frequently Asked Questions

What is the IUPAC name of 5-[2-[benzyl-[2-hydroxy-4-(2-methylphenyl)butyl]amino]ethoxy]-2-hydroxybenzamide?
The IUPAC name of 5-[2-[benzyl-[2-hydroxy-4-(2-methylphenyl)butyl]amino]ethoxy]-2-hydroxybenzamide (CID 70575623) is 5-[2-[benzyl-[2-hydroxy-4-(2-methylphenyl)butyl]amino]ethoxy]-2-hydroxybenzamide.
What is the SMILES notation for 5-[2-[benzyl-[2-hydroxy-4-(2-methylphenyl)butyl]amino]ethoxy]-2-hydroxybenzamide?
The canonical SMILES for 5-[2-[benzyl-[2-hydroxy-4-(2-methylphenyl)butyl]amino]ethoxy]-2-hydroxybenzamide is Cc1ccccc1CCC(O)CN(CCOc1ccc(O)c(C(N)=O)c1)Cc1ccccc1.
What is the InChIKey of 5-[2-[benzyl-[2-hydroxy-4-(2-methylphenyl)butyl]amino]ethoxy]-2-hydroxybenzamide?
The InChIKey is WMWFWPYVNRPMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O4/c1-20-7-5-6-10-22(20)11-12-23(30)19-29(18-21-8-3-2-4-9-21)15-16-33-24-13-14-26(31)25(17-24)27(28)32/h2-10,13-14,17,23,30-31H,11-12,15-16,18-19H2,1H3,(H2,28,32).
What are the key properties of 5-[2-[benzyl-[2-hydroxy-4-(2-methylphenyl)butyl]amino]ethoxy]-2-hydroxybenzamide?
5-[2-[benzyl-[2-hydroxy-4-(2-methylphenyl)butyl]amino]ethoxy]-2-hydroxybenzamide has a molecular weight of 448.56 g/mol, XLogP of 3.67, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[benzyl-[2-hydroxy-4-(2-methylphenyl)butyl]amino]ethoxy]-2-hydroxybenzamide is sourced from PubChem (CID 70575623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).