N-(4-ethylphenyl)-N-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]butanamide

C24H32N2O2 — CID 46054963

IUPACN-(4-ethylphenyl)-N-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]butanamide
SMILESCCCC(=O)N(c1ccc(CC)cc1)C1CCN(Cc2ccccc2O)CC1
InChIInChI=1S/C24H32N2O2/c1-3-7-24(28)26(21-12-10-19(4-2)11-13-21)22-14-16-25(17-15-22)18-20-8-5-6-9-23(20)27/h5-6,8-13,22,27H,3-4,7,14-18H2,1-2H3
InChIKeyCGJQONQNPWBFJG-UHFFFAOYSA-N
MW380.53 g/mol
LogP4.75
Rot. Bonds7

About N-(4-ethylphenyl)-N-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]butanamide

N-(4-ethylphenyl)-N-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]butanamide (PubChem CID 46054963) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is N-(4-ethylphenyl)-N-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]butanamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-N-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]butanamide
PubChem CID46054963
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC NameN-(4-ethylphenyl)-N-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]butanamide
SMILESCCCC(=O)N(c1ccc(CC)cc1)C1CCN(Cc2ccccc2O)CC1
InChIInChI=1S/C24H32N2O2/c1-3-7-24(28)26(21-12-10-19(4-2)11-13-21)22-14-16-25(17-15-22)18-20-8-5-6-9-23(20)27/h5-6,8-13,22,27H,3-4,7,14-18H2,1-2H3
InChIKeyCGJQONQNPWBFJG-UHFFFAOYSA-N
XLogP4.75
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-2-methoxy-N-(4-methylphenyl)acetamide
CID 46161787
N-(4-ethylphenyl)-N-[1-[(2-nitrophenyl)methyl]piperidin-4-yl]acetamide
CID 42856586
N-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-N-(4-methylphenyl)butanamide
CID 46054921
N-(4-ethylphenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 46052058
N-(4-ethylphenyl)-2-methyl-N-[1-[(2-nitrophenyl)methyl]piperidin-4-yl]propanamide
CID 46052039
N-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-N-(4-ethylphenyl)propanamide
CID 46054953
N-(4-methoxyphenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide
CID 118796493
N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)butanamide
CID 46054472
N-(4-ethylphenyl)-N-[1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]-2-methylpropanamide
CID 42858416
N-(3,4-dimethoxyphenyl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]butanamide
CID 42853332
N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(3-fluoro-4-methylphenyl)butanamide
CID 42858130
N-(4-ethylphenyl)-N-[1-(3-methylbutyl)piperidin-4-yl]propanamide
CID 42858289

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-N-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]butanamide?
The IUPAC name of N-(4-ethylphenyl)-N-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]butanamide (CID 46054963) is N-(4-ethylphenyl)-N-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]butanamide.
What is the SMILES notation for N-(4-ethylphenyl)-N-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]butanamide?
The canonical SMILES for N-(4-ethylphenyl)-N-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]butanamide is CCCC(=O)N(c1ccc(CC)cc1)C1CCN(Cc2ccccc2O)CC1.
What is the InChIKey of N-(4-ethylphenyl)-N-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]butanamide?
The InChIKey is CGJQONQNPWBFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-3-7-24(28)26(21-12-10-19(4-2)11-13-21)22-14-16-25(17-15-22)18-20-8-5-6-9-23(20)27/h5-6,8-13,22,27H,3-4,7,14-18H2,1-2H3.
What are the key properties of N-(4-ethylphenyl)-N-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]butanamide?
N-(4-ethylphenyl)-N-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]butanamide has a molecular weight of 380.53 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-N-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]butanamide is sourced from PubChem (CID 46054963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).