4-methoxy-N-(4-methoxybutyl)-3-phenylbenzamide

C19H23NO3 — CID 49326379

IUPAC4-methoxy-N-(4-methoxybutyl)-3-phenylbenzamide
SMILESCOCCCCNC(=O)c1ccc(OC)c(-c2ccccc2)c1
InChIInChI=1S/C19H23NO3/c1-22-13-7-6-12-20-19(21)16-10-11-18(23-2)17(14-16)15-8-4-3-5-9-15/h3-5,8-11,14H,6-7,12-13H2,1-2H3,(H,20,21)
InChIKeyJPYDVQYLDCZCEQ-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.52
Rot. Bonds8

About 4-methoxy-N-(4-methoxybutyl)-3-phenylbenzamide

4-methoxy-N-(4-methoxybutyl)-3-phenylbenzamide (PubChem CID 49326379) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-methoxy-N-(4-methoxybutyl)-3-phenylbenzamide.

Molecular Properties

Compound Name4-methoxy-N-(4-methoxybutyl)-3-phenylbenzamide
PubChem CID49326379
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name4-methoxy-N-(4-methoxybutyl)-3-phenylbenzamide
SMILESCOCCCCNC(=O)c1ccc(OC)c(-c2ccccc2)c1
InChIInChI=1S/C19H23NO3/c1-22-13-7-6-12-20-19(21)16-10-11-18(23-2)17(14-16)15-8-4-3-5-9-15/h3-5,8-11,14H,6-7,12-13H2,1-2H3,(H,20,21)
InChIKeyJPYDVQYLDCZCEQ-UHFFFAOYSA-N
XLogP3.52
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-imidazol-1-ylpropyl)-4-methoxy-3-phenylbenzamide
CID 49487480
N-[3-(1,1-dioxothiolan-3-yl)propyl]-4-methoxy-3-phenylbenzamide
CID 110419530
N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-4-methoxy-3-phenylbenzamide
CID 110630969
methyl 4-methoxy-3-phenylbenzoate
CID 11010121
2-[[4-[(4-methoxy-3-phenylbenzoyl)amino]benzoyl]amino]acetic acid
CID 75429308
4-methoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-phenylbenzamide
CID 49374963
4-methoxy-N,N-dimethyl-3-phenylbenzamide
CID 49375903
4-methoxy-N-(4-methoxybutyl)benzamide
CID 110417955
methyl 6-[(3-methyl-4-phenylbenzoyl)amino]hexanoate
CID 66690331
N-[3-(2-methoxyethoxy)propyl]-4-phenylbenzamide
CID 134029636
3,4-dimethoxy-N-octadecylbenzamide
CID 20530777
4-(4-methoxy-3-phenylphenyl)-2-methylidene-4-oxobutanoic acid
CID 70638858

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(4-methoxybutyl)-3-phenylbenzamide?
The IUPAC name of 4-methoxy-N-(4-methoxybutyl)-3-phenylbenzamide (CID 49326379) is 4-methoxy-N-(4-methoxybutyl)-3-phenylbenzamide.
What is the SMILES notation for 4-methoxy-N-(4-methoxybutyl)-3-phenylbenzamide?
The canonical SMILES for 4-methoxy-N-(4-methoxybutyl)-3-phenylbenzamide is COCCCCNC(=O)c1ccc(OC)c(-c2ccccc2)c1.
What is the InChIKey of 4-methoxy-N-(4-methoxybutyl)-3-phenylbenzamide?
The InChIKey is JPYDVQYLDCZCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-22-13-7-6-12-20-19(21)16-10-11-18(23-2)17(14-16)15-8-4-3-5-9-15/h3-5,8-11,14H,6-7,12-13H2,1-2H3,(H,20,21).
What are the key properties of 4-methoxy-N-(4-methoxybutyl)-3-phenylbenzamide?
4-methoxy-N-(4-methoxybutyl)-3-phenylbenzamide has a molecular weight of 313.40 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(4-methoxybutyl)-3-phenylbenzamide is sourced from PubChem (CID 49326379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).