2-amino-N-hexan-3-yl-4,5-dimethoxybenzamide

C15H24N2O3 — CID 62094732

IUPAC2-amino-N-hexan-3-yl-4,5-dimethoxybenzamide
SMILESCCCC(CC)NC(=O)c1cc(OC)c(OC)cc1N
InChIInChI=1S/C15H24N2O3/c1-5-7-10(6-2)17-15(18)11-8-13(19-3)14(20-4)9-12(11)16/h8-10H,5-7,16H2,1-4H3,(H,17,18)
InChIKeyFUXOEEDYMBEXCH-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.59
Rot. Bonds7

About 2-amino-N-hexan-3-yl-4,5-dimethoxybenzamide

2-amino-N-hexan-3-yl-4,5-dimethoxybenzamide (PubChem CID 62094732) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-amino-N-hexan-3-yl-4,5-dimethoxybenzamide.

Molecular Properties

Compound Name2-amino-N-hexan-3-yl-4,5-dimethoxybenzamide
PubChem CID62094732
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-amino-N-hexan-3-yl-4,5-dimethoxybenzamide
SMILESCCCC(CC)NC(=O)c1cc(OC)c(OC)cc1N
InChIInChI=1S/C15H24N2O3/c1-5-7-10(6-2)17-15(18)11-8-13(19-3)14(20-4)9-12(11)16/h8-10H,5-7,16H2,1-4H3,(H,17,18)
InChIKeyFUXOEEDYMBEXCH-UHFFFAOYSA-N
XLogP2.59
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-hexan-3-yl-2-methoxybenzamide
CID 62094748
3-amino-N-hexan-3-ylnaphthalene-2-carboxamide
CID 62117269
4,5-dimethoxy-2-nitro-N-octan-3-ylbenzamide
CID 110839097
3-amino-2,5-difluoro-N-hexan-3-ylbenzamide
CID 107120973
5-amino-2,4-difluoro-N-hexan-3-ylbenzamide
CID 62092925
5-amino-2-chloro-N-hexan-3-ylpyridine-4-carboxamide
CID 114089470
2-amino-4-methoxy-N-(1-methoxypentan-2-yl)benzamide
CID 115413334
2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-4,5-dimethoxybenzamide
CID 79247786
N-hexan-3-yl-3-hydroxy-4-methoxybenzamide
CID 79672456
4-amino-2-methoxy-N-octan-4-ylbenzamide
CID 106021761
2-amino-N-hydroxy-4,5-dimethoxybenzamide
CID 11535831
3-amino-2-chloro-N-hexan-3-ylbenzamide
CID 112575833

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-hexan-3-yl-4,5-dimethoxybenzamide?
The IUPAC name of 2-amino-N-hexan-3-yl-4,5-dimethoxybenzamide (CID 62094732) is 2-amino-N-hexan-3-yl-4,5-dimethoxybenzamide.
What is the SMILES notation for 2-amino-N-hexan-3-yl-4,5-dimethoxybenzamide?
The canonical SMILES for 2-amino-N-hexan-3-yl-4,5-dimethoxybenzamide is CCCC(CC)NC(=O)c1cc(OC)c(OC)cc1N.
What is the InChIKey of 2-amino-N-hexan-3-yl-4,5-dimethoxybenzamide?
The InChIKey is FUXOEEDYMBEXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-5-7-10(6-2)17-15(18)11-8-13(19-3)14(20-4)9-12(11)16/h8-10H,5-7,16H2,1-4H3,(H,17,18).
What are the key properties of 2-amino-N-hexan-3-yl-4,5-dimethoxybenzamide?
2-amino-N-hexan-3-yl-4,5-dimethoxybenzamide has a molecular weight of 280.37 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-hexan-3-yl-4,5-dimethoxybenzamide is sourced from PubChem (CID 62094732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).