3-(3-amino-5-ethoxy-4-hydroxyphenyl)-N-benzyl-N-methylpropanamide

C19H24N2O3 — CID 82071255

IUPAC3-(3-amino-5-ethoxy-4-hydroxyphenyl)-N-benzyl-N-methylpropanamide
SMILESCCOc1cc(CCC(=O)N(C)Cc2ccccc2)cc(N)c1O
InChIInChI=1S/C19H24N2O3/c1-3-24-17-12-15(11-16(20)19(17)23)9-10-18(22)21(2)13-14-7-5-4-6-8-14/h4-8,11-12,23H,3,9-10,13,20H2,1-2H3
InChIKeyUURBKOIVIRRNIF-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.96
Rot. Bonds7

About 3-(3-amino-5-ethoxy-4-hydroxyphenyl)-N-benzyl-N-methylpropanamide

3-(3-amino-5-ethoxy-4-hydroxyphenyl)-N-benzyl-N-methylpropanamide (PubChem CID 82071255) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 3-(3-amino-5-ethoxy-4-hydroxyphenyl)-N-benzyl-N-methylpropanamide.

Molecular Properties

Compound Name3-(3-amino-5-ethoxy-4-hydroxyphenyl)-N-benzyl-N-methylpropanamide
PubChem CID82071255
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name3-(3-amino-5-ethoxy-4-hydroxyphenyl)-N-benzyl-N-methylpropanamide
SMILESCCOc1cc(CCC(=O)N(C)Cc2ccccc2)cc(N)c1O
InChIInChI=1S/C19H24N2O3/c1-3-24-17-12-15(11-16(20)19(17)23)9-10-18(22)21(2)13-14-7-5-4-6-8-14/h4-8,11-12,23H,3,9-10,13,20H2,1-2H3
InChIKeyUURBKOIVIRRNIF-UHFFFAOYSA-N
XLogP2.96
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3-(3-amino-5-ethoxy-4-hydroxyphenyl)-N,N-dipropylpropanamide
CID 82070927
3-(4-aminophenoxy)-N-benzyl-N-methylpropanamide
CID 61089874
N-benzyl-N-methylpentanamide
CID 4629611
3-(2-aminophenyl)-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide
CID 107272887
3-(3-amino-5-ethoxy-4-hydroxyphenyl)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
CID 82071028
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methyl-3-(3-methylphenyl)propanamide
CID 55612210
4-[3-[(4-ethoxyphenyl)methyl-methylamino]-3-oxopropyl]benzoic acid
CID 119179429
(2S)-2-amino-5-[benzyl(methyl)amino]-5-oxopentanoic acid;hydrochloride
CID 166748454
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
1-benzyl-3-[(2-ethoxyphenoxy)methyl]-1-methylurea
CID 108877231
[2-[benzyl(methyl)amino]-2-oxoethyl] propanoate
CID 57155799
N-benzyl-3-(1-ethylindol-5-yl)-N-methylpropanamide
CID 71840852

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-5-ethoxy-4-hydroxyphenyl)-N-benzyl-N-methylpropanamide?
The IUPAC name of 3-(3-amino-5-ethoxy-4-hydroxyphenyl)-N-benzyl-N-methylpropanamide (CID 82071255) is 3-(3-amino-5-ethoxy-4-hydroxyphenyl)-N-benzyl-N-methylpropanamide.
What is the SMILES notation for 3-(3-amino-5-ethoxy-4-hydroxyphenyl)-N-benzyl-N-methylpropanamide?
The canonical SMILES for 3-(3-amino-5-ethoxy-4-hydroxyphenyl)-N-benzyl-N-methylpropanamide is CCOc1cc(CCC(=O)N(C)Cc2ccccc2)cc(N)c1O.
What is the InChIKey of 3-(3-amino-5-ethoxy-4-hydroxyphenyl)-N-benzyl-N-methylpropanamide?
The InChIKey is UURBKOIVIRRNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-3-24-17-12-15(11-16(20)19(17)23)9-10-18(22)21(2)13-14-7-5-4-6-8-14/h4-8,11-12,23H,3,9-10,13,20H2,1-2H3.
What are the key properties of 3-(3-amino-5-ethoxy-4-hydroxyphenyl)-N-benzyl-N-methylpropanamide?
3-(3-amino-5-ethoxy-4-hydroxyphenyl)-N-benzyl-N-methylpropanamide has a molecular weight of 328.41 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-5-ethoxy-4-hydroxyphenyl)-N-benzyl-N-methylpropanamide is sourced from PubChem (CID 82071255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).