3-(4-aminophenyl)-N-(4-hexoxyphenyl)propanamide

C21H28N2O2 — CID 54795325

IUPAC3-(4-aminophenyl)-N-(4-hexoxyphenyl)propanamide
SMILESCCCCCCOc1ccc(NC(=O)CCc2ccc(N)cc2)cc1
InChIInChI=1S/C21H28N2O2/c1-2-3-4-5-16-25-20-13-11-19(12-14-20)23-21(24)15-8-17-6-9-18(22)10-7-17/h6-7,9-14H,2-5,8,15-16,22H2,1H3,(H,23,24)
InChIKeyPMJHFUAQQLJHDE-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.80
Rot. Bonds10

About 3-(4-aminophenyl)-N-(4-hexoxyphenyl)propanamide

3-(4-aminophenyl)-N-(4-hexoxyphenyl)propanamide (PubChem CID 54795325) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-(4-hexoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-(4-hexoxyphenyl)propanamide
PubChem CID54795325
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name3-(4-aminophenyl)-N-(4-hexoxyphenyl)propanamide
SMILESCCCCCCOc1ccc(NC(=O)CCc2ccc(N)cc2)cc1
InChIInChI=1S/C21H28N2O2/c1-2-3-4-5-16-25-20-13-11-19(12-14-20)23-21(24)15-8-17-6-9-18(22)10-7-17/h6-7,9-14H,2-5,8,15-16,22H2,1H3,(H,23,24)
InChIKeyPMJHFUAQQLJHDE-UHFFFAOYSA-N
XLogP4.80
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[4-[3-(4-octadecoxyphenyl)propanoylamino]phenyl]acetic acid
CID 139918168
3-(4-chlorophenyl)-N-(4-pentoxyphenyl)propanamide
CID 19220836
N-(4-decoxyphenyl)butanamide
CID 143303175
N-[4-[[2-(4-heptoxyanilino)-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
CID 54839712
N-[4-[3-(4-aminophenyl)propanoylamino]phenyl]butanamide
CID 54795313
3-(2-aminophenyl)-N-(4-heptoxyphenyl)propanamide
CID 54795522
2-phenylethyl 4-(4-hexoxyanilino)-4-oxobutanoate
CID 4939403
3-[4-[3-(4-propoxyphenyl)propanoylamino]phenyl]propanoic acid
CID 119252286
3-(3,5-ditert-butyl-4-methylphenyl)-N-(4-octoxyphenyl)propanamide
CID 58031341
N-(4-butylphenyl)-3-(4-ethylphenoxy)propanamide
CID 108795729
N-(4-butoxyphenyl)butanamide
CID 4939679
3-phenylpropyl 5-(4-heptoxyanilino)-5-oxopentanoate
CID 4951564

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-(4-hexoxyphenyl)propanamide?
The IUPAC name of 3-(4-aminophenyl)-N-(4-hexoxyphenyl)propanamide (CID 54795325) is 3-(4-aminophenyl)-N-(4-hexoxyphenyl)propanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-(4-hexoxyphenyl)propanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-(4-hexoxyphenyl)propanamide is CCCCCCOc1ccc(NC(=O)CCc2ccc(N)cc2)cc1.
What is the InChIKey of 3-(4-aminophenyl)-N-(4-hexoxyphenyl)propanamide?
The InChIKey is PMJHFUAQQLJHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-2-3-4-5-16-25-20-13-11-19(12-14-20)23-21(24)15-8-17-6-9-18(22)10-7-17/h6-7,9-14H,2-5,8,15-16,22H2,1H3,(H,23,24).
What are the key properties of 3-(4-aminophenyl)-N-(4-hexoxyphenyl)propanamide?
3-(4-aminophenyl)-N-(4-hexoxyphenyl)propanamide has a molecular weight of 340.47 g/mol, XLogP of 4.80, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-N-(4-hexoxyphenyl)propanamide is sourced from PubChem (CID 54795325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).