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

C16H26N2O4 — CID 109012524

IUPAC3-(butylamino)-N-(3,4,5-trimethoxyphenyl)propanamide
SMILESCCCCNCCC(=O)Nc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C16H26N2O4/c1-5-6-8-17-9-7-15(19)18-12-10-13(20-2)16(22-4)14(11-12)21-3/h10-11,17H,5-9H2,1-4H3,(H,18,19)
InChIKeyYGJJMXGLIZFSCU-UHFFFAOYSA-N
MW310.39 g/mol
LogP2.43
Rot. Bonds10

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

3-(butylamino)-N-(3,4,5-trimethoxyphenyl)propanamide (PubChem CID 109012524) has the molecular formula C16H26N2O4 and a molecular weight of 310.39 g/mol. Its IUPAC name is 3-(butylamino)-N-(3,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(butylamino)-N-(3,4,5-trimethoxyphenyl)propanamide
PubChem CID109012524
Molecular FormulaC16H26N2O4
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC Name3-(butylamino)-N-(3,4,5-trimethoxyphenyl)propanamide
SMILESCCCCNCCC(=O)Nc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C16H26N2O4/c1-5-6-8-17-9-7-15(19)18-12-10-13(20-2)16(22-4)14(11-12)21-3/h10-11,17H,5-9H2,1-4H3,(H,18,19)
InChIKeyYGJJMXGLIZFSCU-UHFFFAOYSA-N
XLogP2.43
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 52.43
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-(propylamino)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 109011622
1-butyl-3-(3,4,5-trimethoxyphenyl)urea
CID 47103391
N-butyl-3-(3,4,5-trimethoxyanilino)propanamide
CID 109012336
1-pentyl-3-(3,4,5-trimethoxyphenyl)urea
CID 51290149
3-(tert-butylamino)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 109031433
N-propyl-N'-(3,4,5-trimethoxyphenyl)propanediamide
CID 108940751
3-(butylamino)-N-(2-methoxy-5-methylphenyl)propanamide
CID 109012484
7-amino-N-(3,4,5-trimethoxyphenyl)heptanamide;hydrochloride
CID 119671440
3-(2-ethoxyanilino)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 109039839
N-[3-oxo-3-(3,4,5-trimethoxyanilino)propyl]benzamide
CID 17154620
N-(4-fluorophenyl)-3-(3,4,5-trimethoxyanilino)propanamide
CID 109037688
3-[4-(trifluoromethyl)anilino]-N-(3,4,5-trimethoxyphenyl)propanamide
CID 109040860

Frequently Asked Questions

What is the IUPAC name of 3-(butylamino)-N-(3,4,5-trimethoxyphenyl)propanamide?
The IUPAC name of 3-(butylamino)-N-(3,4,5-trimethoxyphenyl)propanamide (CID 109012524) is 3-(butylamino)-N-(3,4,5-trimethoxyphenyl)propanamide.
What is the SMILES notation for 3-(butylamino)-N-(3,4,5-trimethoxyphenyl)propanamide?
The canonical SMILES for 3-(butylamino)-N-(3,4,5-trimethoxyphenyl)propanamide is CCCCNCCC(=O)Nc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 3-(butylamino)-N-(3,4,5-trimethoxyphenyl)propanamide?
The InChIKey is YGJJMXGLIZFSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4/c1-5-6-8-17-9-7-15(19)18-12-10-13(20-2)16(22-4)14(11-12)21-3/h10-11,17H,5-9H2,1-4H3,(H,18,19).
What are the key properties of 3-(butylamino)-N-(3,4,5-trimethoxyphenyl)propanamide?
3-(butylamino)-N-(3,4,5-trimethoxyphenyl)propanamide has a molecular weight of 310.39 g/mol, XLogP of 2.43, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butylamino)-N-(3,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 109012524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).