3-(3-amino-4-butoxyphenyl)-N-propylpropanamide

C16H26N2O2 — CID 82152760

IUPAC3-(3-amino-4-butoxyphenyl)-N-propylpropanamide
SMILESCCCCOc1ccc(CCC(=O)NCCC)cc1N
InChIInChI=1S/C16H26N2O2/c1-3-5-11-20-15-8-6-13(12-14(15)17)7-9-16(19)18-10-4-2/h6,8,12H,3-5,7,9-11,17H2,1-2H3,(H,18,19)
InChIKeyQAEVBPFJSGOPCE-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.91
Rot. Bonds9

About 3-(3-amino-4-butoxyphenyl)-N-propylpropanamide

3-(3-amino-4-butoxyphenyl)-N-propylpropanamide (PubChem CID 82152760) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-(3-amino-4-butoxyphenyl)-N-propylpropanamide.

Molecular Properties

Compound Name3-(3-amino-4-butoxyphenyl)-N-propylpropanamide
PubChem CID82152760
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3-(3-amino-4-butoxyphenyl)-N-propylpropanamide
SMILESCCCCOc1ccc(CCC(=O)NCCC)cc1N
InChIInChI=1S/C16H26N2O2/c1-3-5-11-20-15-8-6-13(12-14(15)17)7-9-16(19)18-10-4-2/h6,8,12H,3-5,7,9-11,17H2,1-2H3,(H,18,19)
InChIKeyQAEVBPFJSGOPCE-UHFFFAOYSA-N
XLogP2.91
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.91
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-propoxyphenyl)-N-(3-hydroxypropyl)propanamide
CID 82152736
3-(3-amino-4-butoxyphenyl)propanoic acid
CID 82152584
3-(3-amino-4-butoxyphenyl)-N-(4-methylphenyl)propanamide
CID 82153712
3-(3-amino-4-propoxyphenyl)-N-(2-methylpropyl)propanamide
CID 82152739
3-[3-amino-4-(3-methylbutoxy)phenyl]-N-(3-methylbutyl)propanamide
CID 94759187
3-(3-amino-4-ethoxyphenyl)-N-[2-(diethylamino)ethyl]propanamide
CID 94759066
3-(3-amino-4-propoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide
CID 94759139
3-(3-amino-4-methoxyphenyl)-N-ethylpropanamide
CID 39245446
3-(3-amino-4-ethoxyphenyl)-N-(3-imidazol-1-ylpropyl)propanamide
CID 94759078
N-(3-aminopropyl)-3-(3-chloro-4-propoxyphenyl)propanamide
CID 84613813
3-[3-amino-4-(2-methylpropoxy)phenyl]-N-[2-(dimethylamino)ethyl]propanamide
CID 94759123
3-(3-amino-4-propoxyphenyl)-N,N-dimethylpropanamide
CID 82153364

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-4-butoxyphenyl)-N-propylpropanamide?
The IUPAC name of 3-(3-amino-4-butoxyphenyl)-N-propylpropanamide (CID 82152760) is 3-(3-amino-4-butoxyphenyl)-N-propylpropanamide.
What is the SMILES notation for 3-(3-amino-4-butoxyphenyl)-N-propylpropanamide?
The canonical SMILES for 3-(3-amino-4-butoxyphenyl)-N-propylpropanamide is CCCCOc1ccc(CCC(=O)NCCC)cc1N.
What is the InChIKey of 3-(3-amino-4-butoxyphenyl)-N-propylpropanamide?
The InChIKey is QAEVBPFJSGOPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-5-11-20-15-8-6-13(12-14(15)17)7-9-16(19)18-10-4-2/h6,8,12H,3-5,7,9-11,17H2,1-2H3,(H,18,19).
What are the key properties of 3-(3-amino-4-butoxyphenyl)-N-propylpropanamide?
3-(3-amino-4-butoxyphenyl)-N-propylpropanamide has a molecular weight of 278.40 g/mol, XLogP of 2.91, 9 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-propylpropanamide is sourced from PubChem (CID 82152760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).