5-[(2,3,4-trimethoxyphenyl)methylamino]pentanamide

C15H24N2O4 — CID 106234716

IUPAC5-[(2,3,4-trimethoxyphenyl)methylamino]pentanamide
SMILESCOc1ccc(CNCCCCC(N)=O)c(OC)c1OC
InChIInChI=1S/C15H24N2O4/c1-19-12-8-7-11(14(20-2)15(12)21-3)10-17-9-5-4-6-13(16)18/h7-8,17H,4-6,9-10H2,1-3H3,(H2,16,18)
InChIKeyYMVRWEOCYFRVIL-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.46
Rot. Bonds10

About 5-[(2,3,4-trimethoxyphenyl)methylamino]pentanamide

5-[(2,3,4-trimethoxyphenyl)methylamino]pentanamide (PubChem CID 106234716) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 5-[(2,3,4-trimethoxyphenyl)methylamino]pentanamide.

Molecular Properties

Compound Name5-[(2,3,4-trimethoxyphenyl)methylamino]pentanamide
PubChem CID106234716
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name5-[(2,3,4-trimethoxyphenyl)methylamino]pentanamide
SMILESCOc1ccc(CNCCCCC(N)=O)c(OC)c1OC
InChIInChI=1S/C15H24N2O4/c1-19-12-8-7-11(14(20-2)15(12)21-3)10-17-9-5-4-6-13(16)18/h7-8,17H,4-6,9-10H2,1-3H3,(H2,16,18)
InChIKeyYMVRWEOCYFRVIL-UHFFFAOYSA-N
XLogP1.46
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.46
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-[(2,3,4-trimethoxyphenyl)methylamino]propanamide
CID 43553337
4-[(2,3,4-trimethoxyphenyl)methylamino]butanoic acid
CID 60782759
N'-[(2,3,4-trimethoxyphenyl)methyl]butane-1,4-diamine
CID 60895231
5-[(2,4-dimethoxyphenyl)methylamino]pentanamide
CID 106234712
5-[(3,4-dimethoxyphenyl)methylamino]pentanamide
CID 106233498
5-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]hexan-1-amine
CID 79003454
N'-[(2,3,4-trimethoxyphenyl)methyl]-N-[2-[(2,3,4-trimethoxyphenyl)methylamino]ethyl]ethane-1,2-diamine;trihydrochloride
CID 139593123
3-methylsulfinyl-N-[(2,3,4-trimethoxyphenyl)methyl]propan-1-amine
CID 115632884
5-[(2-fluoro-3-methoxyphenyl)methylamino]pentanamide
CID 114162271
4-[(2-methoxyphenyl)methylamino]butanamide
CID 60863188
5-[(2,4-dimethoxy-3-methylphenyl)methylamino]pentan-2-one
CID 115236495
N-benzyl-3-[(2,3,4-trimethoxyphenyl)methylamino]propanamide
CID 51129427

Frequently Asked Questions

What is the IUPAC name of 5-[(2,3,4-trimethoxyphenyl)methylamino]pentanamide?
The IUPAC name of 5-[(2,3,4-trimethoxyphenyl)methylamino]pentanamide (CID 106234716) is 5-[(2,3,4-trimethoxyphenyl)methylamino]pentanamide.
What is the SMILES notation for 5-[(2,3,4-trimethoxyphenyl)methylamino]pentanamide?
The canonical SMILES for 5-[(2,3,4-trimethoxyphenyl)methylamino]pentanamide is COc1ccc(CNCCCCC(N)=O)c(OC)c1OC.
What is the InChIKey of 5-[(2,3,4-trimethoxyphenyl)methylamino]pentanamide?
The InChIKey is YMVRWEOCYFRVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-19-12-8-7-11(14(20-2)15(12)21-3)10-17-9-5-4-6-13(16)18/h7-8,17H,4-6,9-10H2,1-3H3,(H2,16,18).
What are the key properties of 5-[(2,3,4-trimethoxyphenyl)methylamino]pentanamide?
5-[(2,3,4-trimethoxyphenyl)methylamino]pentanamide has a molecular weight of 296.37 g/mol, XLogP of 1.46, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3,4-trimethoxyphenyl)methylamino]pentanamide is sourced from PubChem (CID 106234716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).