2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-N-[4-(4-methylphenyl)butyl]benzamide

C27H32N2O2 — CID 23544131

IUPAC2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-N-[4-(4-methylphenyl)butyl]benzamide
SMILESCc1ccc(CCCCNC(=O)c2ccccc2CNCCc2ccc(O)cc2)cc1
InChIInChI=1S/C27H32N2O2/c1-21-9-11-22(12-10-21)6-4-5-18-29-27(31)26-8-3-2-7-24(26)20-28-19-17-23-13-15-25(30)16-14-23/h2-3,7-16,28,30H,4-6,17-20H2,1H3,(H,29,31)
InChIKeyHCLMFCKWJSNHFI-UHFFFAOYSA-N
MW416.57 g/mol
LogP4.79
Rot. Bonds11

About 2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-N-[4-(4-methylphenyl)butyl]benzamide

2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-N-[4-(4-methylphenyl)butyl]benzamide (PubChem CID 23544131) has the molecular formula C27H32N2O2 and a molecular weight of 416.57 g/mol. Its IUPAC name is 2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-N-[4-(4-methylphenyl)butyl]benzamide.

Molecular Properties

Compound Name2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-N-[4-(4-methylphenyl)butyl]benzamide
PubChem CID23544131
Molecular FormulaC27H32N2O2
Molecular Weight416.57 g/mol
Exact Mass416.25
IUPAC Name2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-N-[4-(4-methylphenyl)butyl]benzamide
SMILESCc1ccc(CCCCNC(=O)c2ccccc2CNCCc2ccc(O)cc2)cc1
InChIInChI=1S/C27H32N2O2/c1-21-9-11-22(12-10-21)6-4-5-18-29-27(31)26-8-3-2-7-24(26)20-28-19-17-23-13-15-25(30)16-14-23/h2-3,7-16,28,30H,4-6,17-20H2,1H3,(H,29,31)
InChIKeyHCLMFCKWJSNHFI-UHFFFAOYSA-N
XLogP4.79
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 54.79
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

N-(2-(4-Hydroxyphenyl)ethyl)benzamide
CID 577614
Benzamide, N-[(2-hydroxy-1-naphthalenyl)methyl]-
CID 796808
N-(4-methoxybenzyl)[1,1'-biphenyl]-4-carboxamide
CID 710674
2-Naphthalenecarboxamide, N-[2-(dimethylamino)ethyl]-3-hydroxy-
CID 3659429
BE 2254
CID 34772
AM-1172
CID 10364179
4-[(8-Aza-bicyclo[3.2.1]oct-3-ylidene)-(4-hydroxy-phenyl)-methyl]-N,N-diethyl-benzamide
CID 16224613
Biphenyl-4-carboxylic acid {4-[(5-hydroxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-propyl-amino]-butyl}-amide
CID 19592091
N,N-diethyl-4-(4-(3-hydroxyphenyl)-1-phenethylpiperidin-4-yl)benzamide
CID 22729898
N-[2-(4-Hydroxy-phenyl)-1,1-dimethyl-ethyl]-benzamide
CID 765444
N-{2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-propionyl]-1,2,3,4-tetrahydro-isoquinolin-3-ylmethyl}-benzamide
CID 10884964
N-Ethyl-4-[(3-hydroxy-phenyl)-(8-phenethyl-8-aza-bicyclo[3.2.1]oct-3-ylidene)-methyl]-benzamide
CID 44306748

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-N-[4-(4-methylphenyl)butyl]benzamide?
The IUPAC name of 2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-N-[4-(4-methylphenyl)butyl]benzamide (CID 23544131) is 2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-N-[4-(4-methylphenyl)butyl]benzamide.
What is the SMILES notation for 2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-N-[4-(4-methylphenyl)butyl]benzamide?
The canonical SMILES for 2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-N-[4-(4-methylphenyl)butyl]benzamide is Cc1ccc(CCCCNC(=O)c2ccccc2CNCCc2ccc(O)cc2)cc1.
What is the InChIKey of 2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-N-[4-(4-methylphenyl)butyl]benzamide?
The InChIKey is HCLMFCKWJSNHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O2/c1-21-9-11-22(12-10-21)6-4-5-18-29-27(31)26-8-3-2-7-24(26)20-28-19-17-23-13-15-25(30)16-14-23/h2-3,7-16,28,30H,4-6,17-20H2,1H3,(H,29,31).
What are the key properties of 2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-N-[4-(4-methylphenyl)butyl]benzamide?
2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-N-[4-(4-methylphenyl)butyl]benzamide has a molecular weight of 416.57 g/mol, XLogP of 4.79, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-N-[4-(4-methylphenyl)butyl]benzamide is sourced from PubChem (CID 23544131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).