N-[4-[[2-(3-hydroxy-1-adamantyl)acetyl]amino]phenyl]-3-methylbutanamide

C23H32N2O3 — CID 42944699

IUPACN-[4-[[2-(3-hydroxy-1-adamantyl)acetyl]amino]phenyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(NC(=O)CC23CC4CC(CC(O)(C4)C2)C3)cc1
InChIInChI=1S/C23H32N2O3/c1-15(2)7-20(26)24-18-3-5-19(6-4-18)25-21(27)13-22-9-16-8-17(10-22)12-23(28,11-16)14-22/h3-6,15-17,28H,7-14H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyFVGKJNMJJXCLRQ-UHFFFAOYSA-N
MW384.52 g/mol
LogP4.33
Rot. Bonds6

About N-[4-[[2-(3-hydroxy-1-adamantyl)acetyl]amino]phenyl]-3-methylbutanamide

N-[4-[[2-(3-hydroxy-1-adamantyl)acetyl]amino]phenyl]-3-methylbutanamide (PubChem CID 42944699) has the molecular formula C23H32N2O3 and a molecular weight of 384.52 g/mol. Its IUPAC name is N-[4-[[2-(3-hydroxy-1-adamantyl)acetyl]amino]phenyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[4-[[2-(3-hydroxy-1-adamantyl)acetyl]amino]phenyl]-3-methylbutanamide
PubChem CID42944699
Molecular FormulaC23H32N2O3
Molecular Weight384.52 g/mol
Exact Mass384.24
IUPAC NameN-[4-[[2-(3-hydroxy-1-adamantyl)acetyl]amino]phenyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(NC(=O)CC23CC4CC(CC(O)(C4)C2)C3)cc1
InChIInChI=1S/C23H32N2O3/c1-15(2)7-20(26)24-18-3-5-19(6-4-18)25-21(27)13-22-9-16-8-17(10-22)12-23(28,11-16)14-22/h3-6,15-17,28H,7-14H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyFVGKJNMJJXCLRQ-UHFFFAOYSA-N
XLogP4.33
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[4-[[2-(3-hydroxy-1-adamantyl)acetyl]amino]phenyl]-3-methylbutanamide 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-(3-hydroxy-1-adamantyl)-N-phenylacetamide
CID 18104229
2-(3-hydroxy-1-adamantyl)-N-[4-(triazol-2-yl)phenyl]acetamide
CID 51117266
2-(3-hydroxy-1-adamantyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]acetamide
CID 24620546
N-[3-[[2-(3-hydroxy-1-adamantyl)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 42942168
[2-(4-methylanilino)-2-oxoethyl] 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetate
CID 9126908
N-(2,5-dimethylphenyl)-2-[(5S,7R)-3-hydroxy-1-adamantyl]acetamide
CID 9034291
2-(3-hydroxy-1-adamantyl)-N-(2-hydroxy-4-methylphenyl)acetamide
CID 24540776
[2-(4-methoxyanilino)-2-oxoethyl] 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetate
CID 9126954
2-(3-hydroxy-1-adamantyl)-N-[1-(2-methylphenyl)ethyl]acetamide
CID 24544705
N-[4-(3-methylbutanoylamino)phenyl]adamantane-2-carboxamide
CID 55546131
2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-(3-nitrophenyl)acetamide
CID 9040930
N-(1-tert-butylpyrazol-4-yl)-2-(3-hydroxy-1-adamantyl)acetamide
CID 102554342

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(3-hydroxy-1-adamantyl)acetyl]amino]phenyl]-3-methylbutanamide?
The IUPAC name of N-[4-[[2-(3-hydroxy-1-adamantyl)acetyl]amino]phenyl]-3-methylbutanamide (CID 42944699) is N-[4-[[2-(3-hydroxy-1-adamantyl)acetyl]amino]phenyl]-3-methylbutanamide.
What is the SMILES notation for N-[4-[[2-(3-hydroxy-1-adamantyl)acetyl]amino]phenyl]-3-methylbutanamide?
The canonical SMILES for N-[4-[[2-(3-hydroxy-1-adamantyl)acetyl]amino]phenyl]-3-methylbutanamide is CC(C)CC(=O)Nc1ccc(NC(=O)CC23CC4CC(CC(O)(C4)C2)C3)cc1.
What is the InChIKey of N-[4-[[2-(3-hydroxy-1-adamantyl)acetyl]amino]phenyl]-3-methylbutanamide?
The InChIKey is FVGKJNMJJXCLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3/c1-15(2)7-20(26)24-18-3-5-19(6-4-18)25-21(27)13-22-9-16-8-17(10-22)12-23(28,11-16)14-22/h3-6,15-17,28H,7-14H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N-[4-[[2-(3-hydroxy-1-adamantyl)acetyl]amino]phenyl]-3-methylbutanamide?
N-[4-[[2-(3-hydroxy-1-adamantyl)acetyl]amino]phenyl]-3-methylbutanamide has a molecular weight of 384.52 g/mol, XLogP of 4.33, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(3-hydroxy-1-adamantyl)acetyl]amino]phenyl]-3-methylbutanamide is sourced from PubChem (CID 42944699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).