3-(propylamino)-N-(3,4,5-trimethoxyphenyl)propanamide

C15H24N2O4 — CID 109011622

IUPAC3-(propylamino)-N-(3,4,5-trimethoxyphenyl)propanamide
SMILESCCCNCCC(=O)Nc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C15H24N2O4/c1-5-7-16-8-6-14(18)17-11-9-12(19-2)15(21-4)13(10-11)20-3/h9-10,16H,5-8H2,1-4H3,(H,17,18)
InChIKeyHQDSSMHTGBYHRB-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.04
Rot. Bonds9

About 3-(propylamino)-N-(3,4,5-trimethoxyphenyl)propanamide

3-(propylamino)-N-(3,4,5-trimethoxyphenyl)propanamide (PubChem CID 109011622) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-(propylamino)-N-(3,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(propylamino)-N-(3,4,5-trimethoxyphenyl)propanamide
PubChem CID109011622
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name3-(propylamino)-N-(3,4,5-trimethoxyphenyl)propanamide
SMILESCCCNCCC(=O)Nc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C15H24N2O4/c1-5-7-16-8-6-14(18)17-11-9-12(19-2)15(21-4)13(10-11)20-3/h9-10,16H,5-8H2,1-4H3,(H,17,18)
InChIKeyHQDSSMHTGBYHRB-UHFFFAOYSA-N
XLogP2.04
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(butylamino)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 109012524
N-propyl-N'-(3,4,5-trimethoxyphenyl)propanediamide
CID 108940751
3-(tert-butylamino)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 109031433
3-(2-ethoxyanilino)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 109039839
1-butyl-3-(3,4,5-trimethoxyphenyl)urea
CID 47103391
N-[3-oxo-3-(3,4,5-trimethoxyanilino)propyl]benzamide
CID 17154620
1-pentyl-3-(3,4,5-trimethoxyphenyl)urea
CID 51290149
N-(4-fluorophenyl)-3-(3,4,5-trimethoxyanilino)propanamide
CID 109037688
3-[4-(trifluoromethyl)anilino]-N-(3,4,5-trimethoxyphenyl)propanamide
CID 109040860
3-(benzenesulfonamido)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 17225990
3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide
CID 2991890
7-amino-N-(3,4,5-trimethoxyphenyl)heptanamide;hydrochloride
CID 119671440

Frequently Asked Questions

What is the IUPAC name of 3-(propylamino)-N-(3,4,5-trimethoxyphenyl)propanamide?
The IUPAC name of 3-(propylamino)-N-(3,4,5-trimethoxyphenyl)propanamide (CID 109011622) is 3-(propylamino)-N-(3,4,5-trimethoxyphenyl)propanamide.
What is the SMILES notation for 3-(propylamino)-N-(3,4,5-trimethoxyphenyl)propanamide?
The canonical SMILES for 3-(propylamino)-N-(3,4,5-trimethoxyphenyl)propanamide is CCCNCCC(=O)Nc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 3-(propylamino)-N-(3,4,5-trimethoxyphenyl)propanamide?
The InChIKey is HQDSSMHTGBYHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-5-7-16-8-6-14(18)17-11-9-12(19-2)15(21-4)13(10-11)20-3/h9-10,16H,5-8H2,1-4H3,(H,17,18).
What are the key properties of 3-(propylamino)-N-(3,4,5-trimethoxyphenyl)propanamide?
3-(propylamino)-N-(3,4,5-trimethoxyphenyl)propanamide has a molecular weight of 296.37 g/mol, XLogP of 2.04, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propylamino)-N-(3,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 109011622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).