2-amino-N-butyl-3,5-dimethoxybenzamide

C13H20N2O3 — CID 112606080

IUPAC2-amino-N-butyl-3,5-dimethoxybenzamide
SMILESCCCCNC(=O)c1cc(OC)cc(OC)c1N
InChIInChI=1S/C13H20N2O3/c1-4-5-6-15-13(16)10-7-9(17-2)8-11(18-3)12(10)14/h7-8H,4-6,14H2,1-3H3,(H,15,16)
InChIKeyCEBPFLHKLSRLIA-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.82
Rot. Bonds6

About 2-amino-N-butyl-3,5-dimethoxybenzamide

2-amino-N-butyl-3,5-dimethoxybenzamide (PubChem CID 112606080) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-amino-N-butyl-3,5-dimethoxybenzamide.

Molecular Properties

Compound Name2-amino-N-butyl-3,5-dimethoxybenzamide
PubChem CID112606080
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-amino-N-butyl-3,5-dimethoxybenzamide
SMILESCCCCNC(=O)c1cc(OC)cc(OC)c1N
InChIInChI=1S/C13H20N2O3/c1-4-5-6-15-13(16)10-7-9(17-2)8-11(18-3)12(10)14/h7-8H,4-6,14H2,1-3H3,(H,15,16)
InChIKeyCEBPFLHKLSRLIA-UHFFFAOYSA-N
XLogP1.82
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-ethyl-3,5-dimethoxybenzamide
CID 112606069
2-amino-N-(2-fluoroethyl)-3,5-dimethoxybenzamide
CID 114266909
2-amino-3,5-dimethoxy-N-(4,4,4-trifluorobutyl)benzamide
CID 115950778
2-amino-3,5-dimethoxy-N-(3-methylbutyl)benzamide
CID 112606081
2-amino-3,5-dimethoxy-N-(3-methylpentan-3-yl)benzamide
CID 106327779
2-amino-3,5-dimethoxy-N,N-dipropylbenzamide
CID 115950412
2-amino-3,5-dimethoxy-N-(3-methylpentan-2-yl)benzamide
CID 115950600
2-amino-N-(4-hydroxy-2-methylbutyl)-3,5-dimethoxybenzamide
CID 115950742
N-butyl-4,5-dimethoxy-2-methylbenzamide
CID 110763563
2-amino-N-(5-hydroxypentan-2-yl)-3,5-dimethoxybenzamide
CID 115950760
2-amino-3,5-dimethoxy-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107416343
2-amino-3,5-dimethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 115950623

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-butyl-3,5-dimethoxybenzamide?
The IUPAC name of 2-amino-N-butyl-3,5-dimethoxybenzamide (CID 112606080) is 2-amino-N-butyl-3,5-dimethoxybenzamide.
What is the SMILES notation for 2-amino-N-butyl-3,5-dimethoxybenzamide?
The canonical SMILES for 2-amino-N-butyl-3,5-dimethoxybenzamide is CCCCNC(=O)c1cc(OC)cc(OC)c1N.
What is the InChIKey of 2-amino-N-butyl-3,5-dimethoxybenzamide?
The InChIKey is CEBPFLHKLSRLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-4-5-6-15-13(16)10-7-9(17-2)8-11(18-3)12(10)14/h7-8H,4-6,14H2,1-3H3,(H,15,16).
What are the key properties of 2-amino-N-butyl-3,5-dimethoxybenzamide?
2-amino-N-butyl-3,5-dimethoxybenzamide has a molecular weight of 252.31 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-butyl-3,5-dimethoxybenzamide is sourced from PubChem (CID 112606080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).