3-(2-aminophenyl)-N-(4-butoxy-2-methylphenyl)propanamide

C20H26N2O2 — CID 120609491

IUPAC3-(2-aminophenyl)-N-(4-butoxy-2-methylphenyl)propanamide
SMILESCCCCOc1ccc(NC(=O)CCc2ccccc2N)c(C)c1
InChIInChI=1S/C20H26N2O2/c1-3-4-13-24-17-10-11-19(15(2)14-17)22-20(23)12-9-16-7-5-6-8-18(16)21/h5-8,10-11,14H,3-4,9,12-13,21H2,1-2H3,(H,22,23)
InChIKeyZZTMRTQOAATZAF-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.33
Rot. Bonds8

About 3-(2-aminophenyl)-N-(4-butoxy-2-methylphenyl)propanamide

3-(2-aminophenyl)-N-(4-butoxy-2-methylphenyl)propanamide (PubChem CID 120609491) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-(4-butoxy-2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-(4-butoxy-2-methylphenyl)propanamide
PubChem CID120609491
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name3-(2-aminophenyl)-N-(4-butoxy-2-methylphenyl)propanamide
SMILESCCCCOc1ccc(NC(=O)CCc2ccccc2N)c(C)c1
InChIInChI=1S/C20H26N2O2/c1-3-4-13-24-17-10-11-19(15(2)14-17)22-20(23)12-9-16-7-5-6-8-18(16)21/h5-8,10-11,14H,3-4,9,12-13,21H2,1-2H3,(H,22,23)
InChIKeyZZTMRTQOAATZAF-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-amino-N-(4-butoxy-2-methylphenyl)propanamide
CID 39353448
3-(2-aminophenyl)-N-(2-butoxyphenyl)propanamide;hydrochloride
CID 120608637
3-(2-aminophenyl)-N-(2-butoxy-5-methoxyphenyl)propanamide;hydrochloride
CID 120608796
3-(2-aminophenyl)-N-(4-heptoxyphenyl)propanamide
CID 54795522
4-[3-(2-aminophenyl)propanoylamino]-3-methyl-N-propan-2-ylbenzamide
CID 120609602
N-(2-aminophenyl)-4-(3,4-dimethylphenoxy)butanamide;hydrochloride
CID 119422856
N-(2-methyl-4-propoxyphenyl)-3-[(2-phenylacetyl)amino]propanamide
CID 55904755
4-amino-N-(2-methyl-4-propoxyphenyl)pentanamide
CID 120560885
methyl 2-[4-[3-(2-chlorophenyl)propanoylamino]-3-methylphenoxy]acetate
CID 55916365
3-(2-aminophenyl)-N-[3-(2-ethoxyethoxy)phenyl]propanamide
CID 54795478
3-(2-aminophenyl)-N-[3-(2-phenoxyethoxy)phenyl]propanamide
CID 54795447
4-[3-(2-methyl-4-propoxyanilino)-3-oxopropyl]benzoic acid
CID 119181908

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-(4-butoxy-2-methylphenyl)propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-(4-butoxy-2-methylphenyl)propanamide (CID 120609491) is 3-(2-aminophenyl)-N-(4-butoxy-2-methylphenyl)propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-(4-butoxy-2-methylphenyl)propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-(4-butoxy-2-methylphenyl)propanamide is CCCCOc1ccc(NC(=O)CCc2ccccc2N)c(C)c1.
What is the InChIKey of 3-(2-aminophenyl)-N-(4-butoxy-2-methylphenyl)propanamide?
The InChIKey is ZZTMRTQOAATZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-3-4-13-24-17-10-11-19(15(2)14-17)22-20(23)12-9-16-7-5-6-8-18(16)21/h5-8,10-11,14H,3-4,9,12-13,21H2,1-2H3,(H,22,23).
What are the key properties of 3-(2-aminophenyl)-N-(4-butoxy-2-methylphenyl)propanamide?
3-(2-aminophenyl)-N-(4-butoxy-2-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-(2-aminophenyl)-N-(4-butoxy-2-methylphenyl)propanamide is sourced from PubChem (CID 120609491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).