3-(3-amino-4-propan-2-yloxyphenyl)-N-(2,5-dimethylphenyl)propanamide

C20H26N2O2 — CID 82153666

IUPAC3-(3-amino-4-propan-2-yloxyphenyl)-N-(2,5-dimethylphenyl)propanamide
SMILESCc1ccc(C)c(NC(=O)CCc2ccc(OC(C)C)c(N)c2)c1
InChIInChI=1S/C20H26N2O2/c1-13(2)24-19-9-7-16(12-17(19)21)8-10-20(23)22-18-11-14(3)5-6-15(18)4/h5-7,9,11-13H,8,10,21H2,1-4H3,(H,22,23)
InChIKeySNCISJPKMGKTMR-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.24
Rot. Bonds6

About 3-(3-amino-4-propan-2-yloxyphenyl)-N-(2,5-dimethylphenyl)propanamide

3-(3-amino-4-propan-2-yloxyphenyl)-N-(2,5-dimethylphenyl)propanamide (PubChem CID 82153666) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 3-(3-amino-4-propan-2-yloxyphenyl)-N-(2,5-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-(3-amino-4-propan-2-yloxyphenyl)-N-(2,5-dimethylphenyl)propanamide
PubChem CID82153666
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name3-(3-amino-4-propan-2-yloxyphenyl)-N-(2,5-dimethylphenyl)propanamide
SMILESCc1ccc(C)c(NC(=O)CCc2ccc(OC(C)C)c(N)c2)c1
InChIInChI=1S/C20H26N2O2/c1-13(2)24-19-9-7-16(12-17(19)21)8-10-20(23)22-18-11-14(3)5-6-15(18)4/h5-7,9,11-13H,8,10,21H2,1-4H3,(H,22,23)
InChIKeySNCISJPKMGKTMR-UHFFFAOYSA-N
XLogP4.24
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 ≤ 54.24
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-(4-aminophenyl)-N-(2,5-dimethylphenyl)propanamide
CID 28713053
3-(3-amino-4-propan-2-yloxyphenyl)-N-(3-hydroxyphenyl)propanamide
CID 94760260
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
N-(2-amino-4-methylphenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 28867446
3-(3-amino-4-propan-2-yloxyphenyl)-N-(4-methylpiperazin-1-yl)propanamide
CID 94759107
N-(5-formyl-2-propan-2-yloxyphenyl)-3-(4-methylphenyl)propanamide
CID 82156297
3-(4-butoxy-3-ethoxyphenyl)-N-(2,5-dimethylphenyl)propanamide
CID 2071769
3-(3-amino-4-methoxyphenyl)-N-(4-methylphenyl)propanamide
CID 39384748
3-(3,4-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)propanamide
CID 2684730
N-(2,5-dimethylphenyl)-2-(4-methylphenyl)acetamide
CID 889351

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-4-propan-2-yloxyphenyl)-N-(2,5-dimethylphenyl)propanamide?
The IUPAC name of 3-(3-amino-4-propan-2-yloxyphenyl)-N-(2,5-dimethylphenyl)propanamide (CID 82153666) is 3-(3-amino-4-propan-2-yloxyphenyl)-N-(2,5-dimethylphenyl)propanamide.
What is the SMILES notation for 3-(3-amino-4-propan-2-yloxyphenyl)-N-(2,5-dimethylphenyl)propanamide?
The canonical SMILES for 3-(3-amino-4-propan-2-yloxyphenyl)-N-(2,5-dimethylphenyl)propanamide is Cc1ccc(C)c(NC(=O)CCc2ccc(OC(C)C)c(N)c2)c1.
What is the InChIKey of 3-(3-amino-4-propan-2-yloxyphenyl)-N-(2,5-dimethylphenyl)propanamide?
The InChIKey is SNCISJPKMGKTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-13(2)24-19-9-7-16(12-17(19)21)8-10-20(23)22-18-11-14(3)5-6-15(18)4/h5-7,9,11-13H,8,10,21H2,1-4H3,(H,22,23).
What are the key properties of 3-(3-amino-4-propan-2-yloxyphenyl)-N-(2,5-dimethylphenyl)propanamide?
3-(3-amino-4-propan-2-yloxyphenyl)-N-(2,5-dimethylphenyl)propanamide has a molecular weight of 326.44 g/mol, XLogP of 4.24, 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-propan-2-yloxyphenyl)-N-(2,5-dimethylphenyl)propanamide is sourced from PubChem (CID 82153666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).