3-(butylamino)-N-(2-methoxy-5-methylphenyl)propanamide

C15H24N2O2 — CID 109012484

IUPAC3-(butylamino)-N-(2-methoxy-5-methylphenyl)propanamide
SMILESCCCCNCCC(=O)Nc1cc(C)ccc1OC
InChIInChI=1S/C15H24N2O2/c1-4-5-9-16-10-8-15(18)17-13-11-12(2)6-7-14(13)19-3/h6-7,11,16H,4-5,8-10H2,1-3H3,(H,17,18)
InChIKeyRIDVHYLXYGOHNG-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.72
Rot. Bonds8

About 3-(butylamino)-N-(2-methoxy-5-methylphenyl)propanamide

3-(butylamino)-N-(2-methoxy-5-methylphenyl)propanamide (PubChem CID 109012484) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-(butylamino)-N-(2-methoxy-5-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(butylamino)-N-(2-methoxy-5-methylphenyl)propanamide
PubChem CID109012484
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-(butylamino)-N-(2-methoxy-5-methylphenyl)propanamide
SMILESCCCCNCCC(=O)Nc1cc(C)ccc1OC
InChIInChI=1S/C15H24N2O2/c1-4-5-9-16-10-8-15(18)17-13-11-12(2)6-7-14(13)19-3/h6-7,11,16H,4-5,8-10H2,1-3H3,(H,17,18)
InChIKeyRIDVHYLXYGOHNG-UHFFFAOYSA-N
XLogP2.72
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxy-5-methylphenyl)dodecanamide
CID 4196048
N,N'-bis(2-methoxy-5-methylphenyl)pentanediamide
CID 5142107
N-(2-methoxy-5-methylphenyl)-3-(4-methylanilino)propanamide
CID 109034471
N-(2-methoxy-5-methylphenyl)-4-oxopentanamide
CID 60636995
N-[3-(2-methoxy-5-methylanilino)-3-oxopropyl]-2-methylpropanamide
CID 50875904
N-(2-methoxy-5-methylphenyl)-3-(2-methylanilino)propanamide
CID 51159592
N-(2,4-dimethoxyphenyl)-3-(pentylamino)propanamide
CID 109032275
N-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-5-methylanilino)propanamide
CID 47877577
N-[3-(2-methoxy-5-methylanilino)-3-oxopropyl]benzamide
CID 9098271
1-butyl-3-(2-methoxy-5-methylphenyl)thiourea
CID 8627468
3-(butylamino)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 109012524
4-amino-N-(2-methoxy-5-methylphenyl)-4-sulfanylidenebutanamide
CID 94270072

Frequently Asked Questions

What is the IUPAC name of 3-(butylamino)-N-(2-methoxy-5-methylphenyl)propanamide?
The IUPAC name of 3-(butylamino)-N-(2-methoxy-5-methylphenyl)propanamide (CID 109012484) is 3-(butylamino)-N-(2-methoxy-5-methylphenyl)propanamide.
What is the SMILES notation for 3-(butylamino)-N-(2-methoxy-5-methylphenyl)propanamide?
The canonical SMILES for 3-(butylamino)-N-(2-methoxy-5-methylphenyl)propanamide is CCCCNCCC(=O)Nc1cc(C)ccc1OC.
What is the InChIKey of 3-(butylamino)-N-(2-methoxy-5-methylphenyl)propanamide?
The InChIKey is RIDVHYLXYGOHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-5-9-16-10-8-15(18)17-13-11-12(2)6-7-14(13)19-3/h6-7,11,16H,4-5,8-10H2,1-3H3,(H,17,18).
What are the key properties of 3-(butylamino)-N-(2-methoxy-5-methylphenyl)propanamide?
3-(butylamino)-N-(2-methoxy-5-methylphenyl)propanamide has a molecular weight of 264.37 g/mol, XLogP of 2.72, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butylamino)-N-(2-methoxy-5-methylphenyl)propanamide is sourced from PubChem (CID 109012484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).