3-(3-amino-4-ethoxyphenyl)-N-(2,4,6-trimethylphenyl)propanamide

C20H26N2O2 — CID 82153638

IUPAC3-(3-amino-4-ethoxyphenyl)-N-(2,4,6-trimethylphenyl)propanamide
SMILESCCOc1ccc(CCC(=O)Nc2c(C)cc(C)cc2C)cc1N
InChIInChI=1S/C20H26N2O2/c1-5-24-18-8-6-16(12-17(18)21)7-9-19(23)22-20-14(3)10-13(2)11-15(20)4/h6,8,10-12H,5,7,9,21H2,1-4H3,(H,22,23)
InChIKeyUBEUINBRVOJVCS-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.16
Rot. Bonds6

About 3-(3-amino-4-ethoxyphenyl)-N-(2,4,6-trimethylphenyl)propanamide

3-(3-amino-4-ethoxyphenyl)-N-(2,4,6-trimethylphenyl)propanamide (PubChem CID 82153638) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 3-(3-amino-4-ethoxyphenyl)-N-(2,4,6-trimethylphenyl)propanamide.

Molecular Properties

Compound Name3-(3-amino-4-ethoxyphenyl)-N-(2,4,6-trimethylphenyl)propanamide
PubChem CID82153638
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name3-(3-amino-4-ethoxyphenyl)-N-(2,4,6-trimethylphenyl)propanamide
SMILESCCOc1ccc(CCC(=O)Nc2c(C)cc(C)cc2C)cc1N
InChIInChI=1S/C20H26N2O2/c1-5-24-18-8-6-16(12-17(18)21)7-9-19(23)22-20-14(3)10-13(2)11-15(20)4/h6,8,10-12H,5,7,9,21H2,1-4H3,(H,22,23)
InChIKeyUBEUINBRVOJVCS-UHFFFAOYSA-N
XLogP4.16
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-amino-4-ethoxyphenyl)-N-(4-ethoxyphenyl)propanamide
CID 82153635
N-(2-chloro-4,6-dimethylphenyl)-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221853
3-(3-amino-4-butoxyphenyl)-N-(4-methylphenyl)propanamide
CID 82153712
3-(3-amino-4-ethoxyphenyl)-N-(1-hydroxybutan-2-yl)propanamide
CID 82152685
3-(3-amino-4-ethoxyphenyl)-N-[2-(diethylamino)ethyl]propanamide
CID 94759066
3-(3-amino-4-methoxyphenyl)-N-(4-ethoxyphenyl)propanamide
CID 39456651
N-(4-amino-2,6-dimethylphenyl)-3-(3-methylphenyl)propanamide
CID 79994081
3-(3-amino-4-methoxyphenyl)-N-(4-methylphenyl)propanamide
CID 39384748
N-(2-ethoxyphenyl)-3-(4-methoxy-3-methylphenyl)propanamide
CID 100573859
3-(3-amino-4-propan-2-yloxyphenyl)-N-(2,5-dimethylphenyl)propanamide
CID 82153666
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 3-(2-ethoxyphenyl)propanoate
CID 7524265
3-(3,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)propanamide
CID 19220644

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-4-ethoxyphenyl)-N-(2,4,6-trimethylphenyl)propanamide?
The IUPAC name of 3-(3-amino-4-ethoxyphenyl)-N-(2,4,6-trimethylphenyl)propanamide (CID 82153638) is 3-(3-amino-4-ethoxyphenyl)-N-(2,4,6-trimethylphenyl)propanamide.
What is the SMILES notation for 3-(3-amino-4-ethoxyphenyl)-N-(2,4,6-trimethylphenyl)propanamide?
The canonical SMILES for 3-(3-amino-4-ethoxyphenyl)-N-(2,4,6-trimethylphenyl)propanamide is CCOc1ccc(CCC(=O)Nc2c(C)cc(C)cc2C)cc1N.
What is the InChIKey of 3-(3-amino-4-ethoxyphenyl)-N-(2,4,6-trimethylphenyl)propanamide?
The InChIKey is UBEUINBRVOJVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-5-24-18-8-6-16(12-17(18)21)7-9-19(23)22-20-14(3)10-13(2)11-15(20)4/h6,8,10-12H,5,7,9,21H2,1-4H3,(H,22,23).
What are the key properties of 3-(3-amino-4-ethoxyphenyl)-N-(2,4,6-trimethylphenyl)propanamide?
3-(3-amino-4-ethoxyphenyl)-N-(2,4,6-trimethylphenyl)propanamide has a molecular weight of 326.44 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-4-ethoxyphenyl)-N-(2,4,6-trimethylphenyl)propanamide is sourced from PubChem (CID 82153638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).