3-hydroxy-N-(2-methyl-4-propoxyphenyl)-3-phenylbutanamide

C20H25NO3 — CID 110024948

IUPAC3-hydroxy-N-(2-methyl-4-propoxyphenyl)-3-phenylbutanamide
SMILESCCCOc1ccc(NC(=O)CC(C)(O)c2ccccc2)c(C)c1
InChIInChI=1S/C20H25NO3/c1-4-12-24-17-10-11-18(15(2)13-17)21-19(22)14-20(3,23)16-8-6-5-7-9-16/h5-11,13,23H,4,12,14H2,1-3H3,(H,21,22)
InChIKeyALYROFZCMDSGAC-UHFFFAOYSA-N
MW327.42 g/mol
LogP4.02
Rot. Bonds7

About 3-hydroxy-N-(2-methyl-4-propoxyphenyl)-3-phenylbutanamide

3-hydroxy-N-(2-methyl-4-propoxyphenyl)-3-phenylbutanamide (PubChem CID 110024948) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 3-hydroxy-N-(2-methyl-4-propoxyphenyl)-3-phenylbutanamide.

Molecular Properties

Compound Name3-hydroxy-N-(2-methyl-4-propoxyphenyl)-3-phenylbutanamide
PubChem CID110024948
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name3-hydroxy-N-(2-methyl-4-propoxyphenyl)-3-phenylbutanamide
SMILESCCCOc1ccc(NC(=O)CC(C)(O)c2ccccc2)c(C)c1
InChIInChI=1S/C20H25NO3/c1-4-12-24-17-10-11-18(15(2)13-17)21-19(22)14-20(3,23)16-8-6-5-7-9-16/h5-11,13,23H,4,12,14H2,1-3H3,(H,21,22)
InChIKeyALYROFZCMDSGAC-UHFFFAOYSA-N
XLogP4.02
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-butoxy-2-methylanilino)-2,2-dimethyl-4-oxobutanoic acid
CID 119133688
(2-methyl-4-propoxyphenyl)carbamic acid
CID 118108315
N-(4-fluoro-2-methylphenyl)-3-hydroxy-3-phenylbutanamide
CID 110024305
2-[3-methyl-4-[(3-methyl-3-phenylbutanoyl)amino]phenoxy]acetic acid
CID 119231879
3-amino-N-(2-methyl-4-propoxyphenyl)-3-phenylpropanamide
CID 119950312
N-(2-methyl-4-propoxyphenyl)-3-[(2-phenylacetyl)amino]propanamide
CID 55904755
1-(4-ethoxy-2-methylphenyl)-3-(2-hydroxy-2-phenylpropyl)urea
CID 111335622
4-[3-(2-methyl-4-propoxyanilino)-3-oxopropyl]benzoic acid
CID 119181908
3-amino-N-(4-butoxy-2-methylphenyl)propanamide
CID 39353448
3-amino-N-(2-methyl-4-propoxyphenyl)butanamide;hydrochloride
CID 119739467
4-amino-N-(2-methyl-4-propoxyphenyl)pentanamide
CID 120560885
1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-(2-methyl-4-propoxyphenyl)urea
CID 111926080

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(2-methyl-4-propoxyphenyl)-3-phenylbutanamide?
The IUPAC name of 3-hydroxy-N-(2-methyl-4-propoxyphenyl)-3-phenylbutanamide (CID 110024948) is 3-hydroxy-N-(2-methyl-4-propoxyphenyl)-3-phenylbutanamide.
What is the SMILES notation for 3-hydroxy-N-(2-methyl-4-propoxyphenyl)-3-phenylbutanamide?
The canonical SMILES for 3-hydroxy-N-(2-methyl-4-propoxyphenyl)-3-phenylbutanamide is CCCOc1ccc(NC(=O)CC(C)(O)c2ccccc2)c(C)c1.
What is the InChIKey of 3-hydroxy-N-(2-methyl-4-propoxyphenyl)-3-phenylbutanamide?
The InChIKey is ALYROFZCMDSGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-4-12-24-17-10-11-18(15(2)13-17)21-19(22)14-20(3,23)16-8-6-5-7-9-16/h5-11,13,23H,4,12,14H2,1-3H3,(H,21,22).
What are the key properties of 3-hydroxy-N-(2-methyl-4-propoxyphenyl)-3-phenylbutanamide?
3-hydroxy-N-(2-methyl-4-propoxyphenyl)-3-phenylbutanamide has a molecular weight of 327.42 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(2-methyl-4-propoxyphenyl)-3-phenylbutanamide is sourced from PubChem (CID 110024948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).