N-(4-ethoxyphenyl)-3-hydroxy-N-methyl-3-phenylbutanamide

C19H23NO3 — CID 110025490

IUPACN-(4-ethoxyphenyl)-3-hydroxy-N-methyl-3-phenylbutanamide
SMILESCCOc1ccc(N(C)C(=O)CC(C)(O)c2ccccc2)cc1
InChIInChI=1S/C19H23NO3/c1-4-23-17-12-10-16(11-13-17)20(3)18(21)14-19(2,22)15-8-6-5-7-9-15/h5-13,22H,4,14H2,1-3H3
InChIKeyLSZVIUSISNRTRI-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.35
Rot. Bonds6

About N-(4-ethoxyphenyl)-3-hydroxy-N-methyl-3-phenylbutanamide

N-(4-ethoxyphenyl)-3-hydroxy-N-methyl-3-phenylbutanamide (PubChem CID 110025490) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-3-hydroxy-N-methyl-3-phenylbutanamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-3-hydroxy-N-methyl-3-phenylbutanamide
PubChem CID110025490
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC NameN-(4-ethoxyphenyl)-3-hydroxy-N-methyl-3-phenylbutanamide
SMILESCCOc1ccc(N(C)C(=O)CC(C)(O)c2ccccc2)cc1
InChIInChI=1S/C19H23NO3/c1-4-23-17-12-10-16(11-13-17)20(3)18(21)14-19(2,22)15-8-6-5-7-9-15/h5-13,22H,4,14H2,1-3H3
InChIKeyLSZVIUSISNRTRI-UHFFFAOYSA-N
XLogP3.35
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-ethoxy-N-methylanilino)-3-oxopropanoic acid
CID 115163301
2-(N-acetyl-4-ethoxyanilino)-N-methyl-N-phenylacetamide
CID 113173931
2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-methyl-N-phenylacetamide
CID 55346376
ethyl 3-(4-ethoxyphenyl)-3-hydroxybutanoate
CID 55071355
N-(4-ethoxyphenyl)-N-methyl-2-(methylamino)acetamide
CID 96672511
N-(4-ethoxyphenyl)-N,2-dimethyl-2-(methylamino)propanamide
CID 115165646
(E)-4-(4-ethoxy-N-methylanilino)-4-oxobut-2-enoic acid
CID 115177127
4-ethoxy-N-(4-ethoxyphenyl)-N-phenylaniline
CID 18996804
(2S)-2-amino-N-(4-ethoxyphenyl)-N-methyl-3-phenylpropanamide
CID 75513593
1-(4-ethoxyphenyl)-1-phenylbutan-1-ol
CID 62786789
2-bromo-N-(4-ethoxyphenyl)-N-methylpropanamide
CID 11460343
1-[(4-ethoxyphenyl)methylamino]-2-phenylpropan-2-ol
CID 111121689

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-3-hydroxy-N-methyl-3-phenylbutanamide?
The IUPAC name of N-(4-ethoxyphenyl)-3-hydroxy-N-methyl-3-phenylbutanamide (CID 110025490) is N-(4-ethoxyphenyl)-3-hydroxy-N-methyl-3-phenylbutanamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-3-hydroxy-N-methyl-3-phenylbutanamide?
The canonical SMILES for N-(4-ethoxyphenyl)-3-hydroxy-N-methyl-3-phenylbutanamide is CCOc1ccc(N(C)C(=O)CC(C)(O)c2ccccc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-3-hydroxy-N-methyl-3-phenylbutanamide?
The InChIKey is LSZVIUSISNRTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-4-23-17-12-10-16(11-13-17)20(3)18(21)14-19(2,22)15-8-6-5-7-9-15/h5-13,22H,4,14H2,1-3H3.
What are the key properties of N-(4-ethoxyphenyl)-3-hydroxy-N-methyl-3-phenylbutanamide?
N-(4-ethoxyphenyl)-3-hydroxy-N-methyl-3-phenylbutanamide has a molecular weight of 313.40 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-3-hydroxy-N-methyl-3-phenylbutanamide is sourced from PubChem (CID 110025490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).