3-(3-amino-4-butoxyphenyl)-N-(4-methylphenyl)propanamide

C20H26N2O2 — CID 82153712

IUPAC3-(3-amino-4-butoxyphenyl)-N-(4-methylphenyl)propanamide
SMILESCCCCOc1ccc(CCC(=O)Nc2ccc(C)cc2)cc1N
InChIInChI=1S/C20H26N2O2/c1-3-4-13-24-19-11-7-16(14-18(19)21)8-12-20(23)22-17-9-5-15(2)6-10-17/h5-7,9-11,14H,3-4,8,12-13,21H2,1-2H3,(H,22,23)
InChIKeyMOCMSJWTGHAEHZ-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.33
Rot. Bonds8

About 3-(3-amino-4-butoxyphenyl)-N-(4-methylphenyl)propanamide

3-(3-amino-4-butoxyphenyl)-N-(4-methylphenyl)propanamide (PubChem CID 82153712) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 3-(3-amino-4-butoxyphenyl)-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(3-amino-4-butoxyphenyl)-N-(4-methylphenyl)propanamide
PubChem CID82153712
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name3-(3-amino-4-butoxyphenyl)-N-(4-methylphenyl)propanamide
SMILESCCCCOc1ccc(CCC(=O)Nc2ccc(C)cc2)cc1N
InChIInChI=1S/C20H26N2O2/c1-3-4-13-24-19-11-7-16(14-18(19)21)8-12-20(23)22-17-9-5-15(2)6-10-17/h5-7,9-11,14H,3-4,8,12-13,21H2,1-2H3,(H,22,23)
InChIKeyMOCMSJWTGHAEHZ-UHFFFAOYSA-N
XLogP4.33
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-amino-4-methoxyphenyl)-N-(4-methylphenyl)propanamide
CID 39384748
3-(3-amino-4-ethoxyphenyl)-N-(4-ethoxyphenyl)propanamide
CID 82153635
3-(3-amino-4-butoxyphenyl)-N-propylpropanamide
CID 82152760
3-(3-amino-4-butoxyphenyl)propanoic acid
CID 82152584
3-(3-amino-4-methoxyphenyl)-N-(4-ethoxyphenyl)propanamide
CID 39456651
N-(4-butoxyphenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 19220649
3-(3-amino-4-ethoxyphenyl)-N-(2,4,6-trimethylphenyl)propanamide
CID 82153638
N,3-bis(4-methylphenyl)propanamide
CID 19220434
3-(3-amino-4-propoxyphenyl)-N-(3-hydroxypropyl)propanamide
CID 82152736
3-(3-amino-4-propoxyphenyl)-N-(2-fluorophenyl)propanamide
CID 94760274
3-(4-aminophenyl)-N-(4-hexoxyphenyl)propanamide
CID 54795325
3-(4-butoxy-3-ethoxyphenyl)-N-(2,5-dimethylphenyl)propanamide
CID 2071769

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-4-butoxyphenyl)-N-(4-methylphenyl)propanamide?
The IUPAC name of 3-(3-amino-4-butoxyphenyl)-N-(4-methylphenyl)propanamide (CID 82153712) is 3-(3-amino-4-butoxyphenyl)-N-(4-methylphenyl)propanamide.
What is the SMILES notation for 3-(3-amino-4-butoxyphenyl)-N-(4-methylphenyl)propanamide?
The canonical SMILES for 3-(3-amino-4-butoxyphenyl)-N-(4-methylphenyl)propanamide is CCCCOc1ccc(CCC(=O)Nc2ccc(C)cc2)cc1N.
What is the InChIKey of 3-(3-amino-4-butoxyphenyl)-N-(4-methylphenyl)propanamide?
The InChIKey is MOCMSJWTGHAEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-3-4-13-24-19-11-7-16(14-18(19)21)8-12-20(23)22-17-9-5-15(2)6-10-17/h5-7,9-11,14H,3-4,8,12-13,21H2,1-2H3,(H,22,23).
What are the key properties of 3-(3-amino-4-butoxyphenyl)-N-(4-methylphenyl)propanamide?
3-(3-amino-4-butoxyphenyl)-N-(4-methylphenyl)propanamide has a molecular weight of 326.44 g/mol, XLogP of 4.33, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-4-butoxyphenyl)-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 82153712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).