3-(1-adamantyl)-2-hydroxy-N-[2-(4-phenylmethoxyphenyl)ethyl]propanamide

C28H35NO3 — CID 44590227

IUPAC3-(1-adamantyl)-2-hydroxy-N-[2-(4-phenylmethoxyphenyl)ethyl]propanamide
SMILESO=C(NCCc1ccc(OCc2ccccc2)cc1)C(O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C28H35NO3/c30-26(18-28-15-22-12-23(16-28)14-24(13-22)17-28)27(31)29-11-10-20-6-8-25(9-7-20)32-19-21-4-2-1-3-5-21/h1-9,22-24,26,30H,10-19H2,(H,29,31)
InChIKeyURGHQESXNONMOG-UHFFFAOYSA-N
MW433.59 g/mol
LogP4.89
Rot. Bonds9

About 3-(1-adamantyl)-2-hydroxy-N-[2-(4-phenylmethoxyphenyl)ethyl]propanamide

3-(1-adamantyl)-2-hydroxy-N-[2-(4-phenylmethoxyphenyl)ethyl]propanamide (PubChem CID 44590227) has the molecular formula C28H35NO3 and a molecular weight of 433.59 g/mol. Its IUPAC name is 3-(1-adamantyl)-2-hydroxy-N-[2-(4-phenylmethoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(1-adamantyl)-2-hydroxy-N-[2-(4-phenylmethoxyphenyl)ethyl]propanamide
PubChem CID44590227
Molecular FormulaC28H35NO3
Molecular Weight433.59 g/mol
Exact Mass433.26
IUPAC Name3-(1-adamantyl)-2-hydroxy-N-[2-(4-phenylmethoxyphenyl)ethyl]propanamide
SMILESO=C(NCCc1ccc(OCc2ccccc2)cc1)C(O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C28H35NO3/c30-26(18-28-15-22-12-23(16-28)14-24(13-22)17-28)27(31)29-11-10-20-6-8-25(9-7-20)32-19-21-4-2-1-3-5-21/h1-9,22-24,26,30H,10-19H2,(H,29,31)
InChIKeyURGHQESXNONMOG-UHFFFAOYSA-N
XLogP4.89
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.59
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(1-adamantyl)-2-hydroxy-N-[2-(4-phenylmethoxyphenyl)ethyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Tricyclo(3.3.1.13,7)dec-1-ylethyl 4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)benzeneacetate
CID 60732
N-[4-[4-[2-adamantylidene-(4-hydroxyphenyl)methyl]phenoxy]butyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 145965217
N-[4-[4-[2-adamantylidene-(4-hydroxyphenyl)methyl]phenoxy]butyl]cyclohexanecarboxamide
CID 145978643
(1R,2S,4R)-N-[4-[4-[2-adamantylidene-(4-hydroxyphenyl)methyl]phenoxy]butyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 149822983
(1R,2R,4R)-N-[4-[4-[2-adamantylidene-(4-hydroxyphenyl)methyl]phenoxy]butyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 145966005
N-(1-adamantylmethyl)-3-(4-methoxyphenyl)propanamide
CID 3892355
4-Adamantan-1-yl-N-[2-(4-benzyloxy-phenyl)-ethyl]-2-hydroxy-butyramide
CID 25109344
4-Adamantan-1-yl-N-[2-(4-benzyloxy-phenyl)-ethyl]-2-oxo-butyramide
CID 44590339
1-(3-Hydroxyazetidin-1-yl)-2-[6-hydroxy-2-(4-methoxyphenyl)-2-adamantyl]ethanone
CID 59337265
N-[4-[4-[2-adamantylidene-(4-hydroxyphenyl)methyl]phenoxy]butyl]adamantane-1-carboxamide
CID 145963813
N-[4-[4-[2-adamantylidene-(4-hydroxyphenyl)methyl]phenoxy]butyl]cycloheptanecarboxamide
CID 145965561
N-[4-[4-[2-adamantylidene-(4-hydroxyphenyl)methyl]phenoxy]butyl]-3,5-dimethyladamantane-1-carboxamide
CID 145974220

Frequently Asked Questions

What is the IUPAC name of 3-(1-adamantyl)-2-hydroxy-N-[2-(4-phenylmethoxyphenyl)ethyl]propanamide?
The IUPAC name of 3-(1-adamantyl)-2-hydroxy-N-[2-(4-phenylmethoxyphenyl)ethyl]propanamide (CID 44590227) is 3-(1-adamantyl)-2-hydroxy-N-[2-(4-phenylmethoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(1-adamantyl)-2-hydroxy-N-[2-(4-phenylmethoxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-(1-adamantyl)-2-hydroxy-N-[2-(4-phenylmethoxyphenyl)ethyl]propanamide is O=C(NCCc1ccc(OCc2ccccc2)cc1)C(O)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 3-(1-adamantyl)-2-hydroxy-N-[2-(4-phenylmethoxyphenyl)ethyl]propanamide?
The InChIKey is URGHQESXNONMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35NO3/c30-26(18-28-15-22-12-23(16-28)14-24(13-22)17-28)27(31)29-11-10-20-6-8-25(9-7-20)32-19-21-4-2-1-3-5-21/h1-9,22-24,26,30H,10-19H2,(H,29,31).
What are the key properties of 3-(1-adamantyl)-2-hydroxy-N-[2-(4-phenylmethoxyphenyl)ethyl]propanamide?
3-(1-adamantyl)-2-hydroxy-N-[2-(4-phenylmethoxyphenyl)ethyl]propanamide has a molecular weight of 433.59 g/mol, XLogP of 4.89, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-adamantyl)-2-hydroxy-N-[2-(4-phenylmethoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 44590227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).