N-[4-(butylamino)phenyl]-4-methoxybenzamide

C18H22N2O2 — CID 112980225

IUPACN-[4-(butylamino)phenyl]-4-methoxybenzamide
SMILESCCCCNc1ccc(NC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H22N2O2/c1-3-4-13-19-15-7-9-16(10-8-15)20-18(21)14-5-11-17(22-2)12-6-14/h5-12,19H,3-4,13H2,1-2H3,(H,20,21)
InChIKeyAAAGITOBUNBIMJ-UHFFFAOYSA-N
MW298.39 g/mol
LogP4.16
Rot. Bonds7

About N-[4-(butylamino)phenyl]-4-methoxybenzamide

N-[4-(butylamino)phenyl]-4-methoxybenzamide (PubChem CID 112980225) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[4-(butylamino)phenyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(butylamino)phenyl]-4-methoxybenzamide
PubChem CID112980225
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-[4-(butylamino)phenyl]-4-methoxybenzamide
SMILESCCCCNc1ccc(NC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H22N2O2/c1-3-4-13-19-15-7-9-16(10-8-15)20-18(21)14-5-11-17(22-2)12-6-14/h5-12,19H,3-4,13H2,1-2H3,(H,20,21)
InChIKeyAAAGITOBUNBIMJ-UHFFFAOYSA-N
XLogP4.16
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 54.16
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

5-(butylamino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109224662
2-(butylamino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
CID 109248366
N-(4-methoxyphenyl)-4-octoxybenzamide
CID 71343101
4-methoxy-N-[4-(2-phenylethylamino)phenyl]benzamide
CID 112983237
N-ethyl-4-[(4-methoxybenzoyl)amino]benzamide
CID 17234279
N-(4-heptoxyphenyl)-4-(4-methoxyphenyl)benzamide
CID 101044220
3-methoxy-N-[4-(propylamino)phenyl]benzamide
CID 112979702
methyl 4-[(4-methoxyphenyl)carbamoyl]benzoate
CID 7733773
4-(diethylamino)-N-(4-methoxyphenyl)benzamide
CID 23965088
N-[4-(dibutylsulfamoyl)phenyl]-4-methoxybenzamide
CID 4190675
4-[(4-methoxybenzoyl)amino]-N-[2-(propanoylamino)ethyl]benzamide
CID 121062271
4-N-tert-butyl-1-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 48845743

Frequently Asked Questions

What is the IUPAC name of N-[4-(butylamino)phenyl]-4-methoxybenzamide?
The IUPAC name of N-[4-(butylamino)phenyl]-4-methoxybenzamide (CID 112980225) is N-[4-(butylamino)phenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[4-(butylamino)phenyl]-4-methoxybenzamide?
The canonical SMILES for N-[4-(butylamino)phenyl]-4-methoxybenzamide is CCCCNc1ccc(NC(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[4-(butylamino)phenyl]-4-methoxybenzamide?
The InChIKey is AAAGITOBUNBIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-3-4-13-19-15-7-9-16(10-8-15)20-18(21)14-5-11-17(22-2)12-6-14/h5-12,19H,3-4,13H2,1-2H3,(H,20,21).
What are the key properties of N-[4-(butylamino)phenyl]-4-methoxybenzamide?
N-[4-(butylamino)phenyl]-4-methoxybenzamide has a molecular weight of 298.39 g/mol, XLogP of 4.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(butylamino)phenyl]-4-methoxybenzamide is sourced from PubChem (CID 112980225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).