N-(4-hydroxy-2,2-dimethylpentyl)-3-(5-phenylfuran-2-yl)propanamide

C20H27NO3 — CID 111480285

IUPACN-(4-hydroxy-2,2-dimethylpentyl)-3-(5-phenylfuran-2-yl)propanamide
SMILESCC(O)CC(C)(C)CNC(=O)CCc1ccc(-c2ccccc2)o1
InChIInChI=1S/C20H27NO3/c1-15(22)13-20(2,3)14-21-19(23)12-10-17-9-11-18(24-17)16-7-5-4-6-8-16/h4-9,11,15,22H,10,12-14H2,1-3H3,(H,21,23)
InChIKeyCFFMFNLSRNWRQZ-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.79
Rot. Bonds8

About N-(4-hydroxy-2,2-dimethylpentyl)-3-(5-phenylfuran-2-yl)propanamide

N-(4-hydroxy-2,2-dimethylpentyl)-3-(5-phenylfuran-2-yl)propanamide (PubChem CID 111480285) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-(4-hydroxy-2,2-dimethylpentyl)-3-(5-phenylfuran-2-yl)propanamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,2-dimethylpentyl)-3-(5-phenylfuran-2-yl)propanamide
PubChem CID111480285
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC NameN-(4-hydroxy-2,2-dimethylpentyl)-3-(5-phenylfuran-2-yl)propanamide
SMILESCC(O)CC(C)(C)CNC(=O)CCc1ccc(-c2ccccc2)o1
InChIInChI=1S/C20H27NO3/c1-15(22)13-20(2,3)14-21-19(23)12-10-17-9-11-18(24-17)16-7-5-4-6-8-16/h4-9,11,15,22H,10,12-14H2,1-3H3,(H,21,23)
InChIKeyCFFMFNLSRNWRQZ-UHFFFAOYSA-N
XLogP3.79
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(4-hydroxy-2,2-dimethylpentyl)-3-(5-phenylfuran-2-yl)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

N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-(5-phenylfuran-2-yl)propanamide
CID 111436212
N-tert-butyl-3-(5-phenylfuran-2-yl)propanamide
CID 51149871
3-(5-phenylfuran-2-yl)-N-(2-phenylpropyl)propanamide
CID 42907748
N-(4-hydroxy-2,2-dimethylpentyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 111479718
N-(2-methyl-3-piperidin-1-ylpropyl)-3-(5-phenylfuran-2-yl)propanamide
CID 55980917
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(5-phenylfuran-2-yl)propanamide
CID 42959591
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-hydroxy-2,2-dimethylpentyl)propanamide
CID 111480516
3-(5-phenylfuran-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 56558109
N-[(1S)-2-amino-2-oxo-1-phenylethyl]-3-(5-phenylfuran-2-yl)propanamide
CID 42377200
3-methyl-2-[3-(5-phenylfuran-2-yl)propanoylamino]pentanamide
CID 78773204
N-(4-hydroxy-2,2-dimethylpentyl)-4-phenylbenzamide
CID 111480227
3-amino-N-(4-hydroxy-2,2-dimethylpentyl)-3-phenylpropanamide;hydrochloride
CID 119952032

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,2-dimethylpentyl)-3-(5-phenylfuran-2-yl)propanamide?
The IUPAC name of N-(4-hydroxy-2,2-dimethylpentyl)-3-(5-phenylfuran-2-yl)propanamide (CID 111480285) is N-(4-hydroxy-2,2-dimethylpentyl)-3-(5-phenylfuran-2-yl)propanamide.
What is the SMILES notation for N-(4-hydroxy-2,2-dimethylpentyl)-3-(5-phenylfuran-2-yl)propanamide?
The canonical SMILES for N-(4-hydroxy-2,2-dimethylpentyl)-3-(5-phenylfuran-2-yl)propanamide is CC(O)CC(C)(C)CNC(=O)CCc1ccc(-c2ccccc2)o1.
What is the InChIKey of N-(4-hydroxy-2,2-dimethylpentyl)-3-(5-phenylfuran-2-yl)propanamide?
The InChIKey is CFFMFNLSRNWRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3/c1-15(22)13-20(2,3)14-21-19(23)12-10-17-9-11-18(24-17)16-7-5-4-6-8-16/h4-9,11,15,22H,10,12-14H2,1-3H3,(H,21,23).
What are the key properties of N-(4-hydroxy-2,2-dimethylpentyl)-3-(5-phenylfuran-2-yl)propanamide?
N-(4-hydroxy-2,2-dimethylpentyl)-3-(5-phenylfuran-2-yl)propanamide has a molecular weight of 329.44 g/mol, XLogP of 3.79, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,2-dimethylpentyl)-3-(5-phenylfuran-2-yl)propanamide is sourced from PubChem (CID 111480285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).