4-(butylamino)-3-methoxy-N-methylbenzamide

C13H20N2O2 — CID 178010173

IUPAC4-(butylamino)-3-methoxy-N-methylbenzamide
SMILESCCCCNc1ccc(C(=O)NC)cc1OC
InChIInChI=1S/C13H20N2O2/c1-4-5-8-15-11-7-6-10(13(16)14-2)9-12(11)17-3/h6-7,9,15H,4-5,8H2,1-3H3,(H,14,16)
InChIKeyAJGPWXXCWFQCRV-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.27
Rot. Bonds6

About 4-(butylamino)-3-methoxy-N-methylbenzamide

4-(butylamino)-3-methoxy-N-methylbenzamide (PubChem CID 178010173) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-(butylamino)-3-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name4-(butylamino)-3-methoxy-N-methylbenzamide
PubChem CID178010173
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name4-(butylamino)-3-methoxy-N-methylbenzamide
SMILESCCCCNc1ccc(C(=O)NC)cc1OC
InChIInChI=1S/C13H20N2O2/c1-4-5-8-15-11-7-6-10(13(16)14-2)9-12(11)17-3/h6-7,9,15H,4-5,8H2,1-3H3,(H,14,16)
InChIKeyAJGPWXXCWFQCRV-UHFFFAOYSA-N
XLogP2.27
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.27
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

3-(butylamino)-N,4-dimethylbenzamide
CID 43726955
4-(but-2-ynylamino)-3-methoxy-N-methylbenzamide
CID 165372858
N-butyl-4-dimethylphosphoryl-2-methoxyaniline
CID 178009905
3-methoxy-N-methyl-4-propylbenzamide
CID 155440057
2-(diethylamino)ethyl 4-(butylamino)-3-methoxybenzoate
CID 177300575
2,4-dimethoxy-N-pentylaniline
CID 28570496
3-ethoxy-N,4-dimethylbenzamide
CID 59678322
N-[6-(butylamino)pyridazin-3-yl]-3,4-dimethoxybenzamide
CID 113038339
N-butyl-2-methoxy-4-nitroaniline
CID 43720101
2-(dimethylamino)ethyl 3-methoxy-4-(octylamino)benzoate
CID 54751925
4-(ethylamino)-3-(2-hydroxyethoxy)-N-methylbenzamide
CID 135296117
4-amino-3-butoxy-N-methylbenzamide
CID 63357456

Frequently Asked Questions

What is the IUPAC name of 4-(butylamino)-3-methoxy-N-methylbenzamide?
The IUPAC name of 4-(butylamino)-3-methoxy-N-methylbenzamide (CID 178010173) is 4-(butylamino)-3-methoxy-N-methylbenzamide.
What is the SMILES notation for 4-(butylamino)-3-methoxy-N-methylbenzamide?
The canonical SMILES for 4-(butylamino)-3-methoxy-N-methylbenzamide is CCCCNc1ccc(C(=O)NC)cc1OC.
What is the InChIKey of 4-(butylamino)-3-methoxy-N-methylbenzamide?
The InChIKey is AJGPWXXCWFQCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-5-8-15-11-7-6-10(13(16)14-2)9-12(11)17-3/h6-7,9,15H,4-5,8H2,1-3H3,(H,14,16).
What are the key properties of 4-(butylamino)-3-methoxy-N-methylbenzamide?
4-(butylamino)-3-methoxy-N-methylbenzamide has a molecular weight of 236.31 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butylamino)-3-methoxy-N-methylbenzamide is sourced from PubChem (CID 178010173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).