3-(3-amino-4-propan-2-yloxyphenyl)-N-(3-hydroxyphenyl)propanamide

C18H22N2O3 — CID 94760260

IUPAC3-(3-amino-4-propan-2-yloxyphenyl)-N-(3-hydroxyphenyl)propanamide
SMILESCC(C)Oc1ccc(CCC(=O)Nc2cccc(O)c2)cc1N
InChIInChI=1S/C18H22N2O3/c1-12(2)23-17-8-6-13(10-16(17)19)7-9-18(22)20-14-4-3-5-15(21)11-14/h3-6,8,10-12,21H,7,9,19H2,1-2H3,(H,20,22)
InChIKeyVVZDCVXODZOSGQ-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.33
Rot. Bonds6

About 3-(3-amino-4-propan-2-yloxyphenyl)-N-(3-hydroxyphenyl)propanamide

3-(3-amino-4-propan-2-yloxyphenyl)-N-(3-hydroxyphenyl)propanamide (PubChem CID 94760260) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-(3-amino-4-propan-2-yloxyphenyl)-N-(3-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name3-(3-amino-4-propan-2-yloxyphenyl)-N-(3-hydroxyphenyl)propanamide
PubChem CID94760260
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name3-(3-amino-4-propan-2-yloxyphenyl)-N-(3-hydroxyphenyl)propanamide
SMILESCC(C)Oc1ccc(CCC(=O)Nc2cccc(O)c2)cc1N
InChIInChI=1S/C18H22N2O3/c1-12(2)23-17-8-6-13(10-16(17)19)7-9-18(22)20-14-4-3-5-15(21)11-14/h3-6,8,10-12,21H,7,9,19H2,1-2H3,(H,20,22)
InChIKeyVVZDCVXODZOSGQ-UHFFFAOYSA-N
XLogP3.33
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-amino-4-propan-2-yloxyphenyl)-N-(2,5-dimethylphenyl)propanamide
CID 82153666
3-(3-amino-4-propan-2-yloxyphenyl)-N-butan-2-ylpropanamide
CID 82152691
3-(3-amino-4-propan-2-yloxyphenyl)-N-(2-hydroxypropyl)propanamide
CID 82152698
3-(3-amino-4-propan-2-yloxyphenyl)-N-(1-phenylethyl)propanamide
CID 82152706
3-(3-amino-4-propan-2-yloxyphenyl)-N-(4-methylpiperazin-1-yl)propanamide
CID 94759107
3-(3-bromophenyl)-N-(3-hydroxyphenyl)propanamide
CID 78783817
methyl (2S)-2-amino-5-(3-hydroxyanilino)-5-oxopentanoate
CID 10705950
3-(3-amino-4-methoxyphenyl)-N-(4-methylphenyl)propanamide
CID 39384748
2-(4-amino-3-hydroxyphenyl)-N-(3-hydroxyphenyl)acetamide
CID 69307059
3-[3-amino-4-(3-methylbutoxy)phenyl]-N-pyridin-3-ylpropanamide
CID 82153720
4-(2-aminophenoxy)-N-(3-hydroxyphenyl)butanamide
CID 84553820
N-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)acetamide
CID 28878488

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-4-propan-2-yloxyphenyl)-N-(3-hydroxyphenyl)propanamide?
The IUPAC name of 3-(3-amino-4-propan-2-yloxyphenyl)-N-(3-hydroxyphenyl)propanamide (CID 94760260) is 3-(3-amino-4-propan-2-yloxyphenyl)-N-(3-hydroxyphenyl)propanamide.
What is the SMILES notation for 3-(3-amino-4-propan-2-yloxyphenyl)-N-(3-hydroxyphenyl)propanamide?
The canonical SMILES for 3-(3-amino-4-propan-2-yloxyphenyl)-N-(3-hydroxyphenyl)propanamide is CC(C)Oc1ccc(CCC(=O)Nc2cccc(O)c2)cc1N.
What is the InChIKey of 3-(3-amino-4-propan-2-yloxyphenyl)-N-(3-hydroxyphenyl)propanamide?
The InChIKey is VVZDCVXODZOSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-12(2)23-17-8-6-13(10-16(17)19)7-9-18(22)20-14-4-3-5-15(21)11-14/h3-6,8,10-12,21H,7,9,19H2,1-2H3,(H,20,22).
What are the key properties of 3-(3-amino-4-propan-2-yloxyphenyl)-N-(3-hydroxyphenyl)propanamide?
3-(3-amino-4-propan-2-yloxyphenyl)-N-(3-hydroxyphenyl)propanamide has a molecular weight of 314.39 g/mol, XLogP of 3.33, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-4-propan-2-yloxyphenyl)-N-(3-hydroxyphenyl)propanamide is sourced from PubChem (CID 94760260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).