N-(3,4-dimethylphenyl)-2-pentoxybenzamide

C20H25NO2 — CID 4946489

IUPACN-(3,4-dimethylphenyl)-2-pentoxybenzamide
SMILESCCCCCOc1ccccc1C(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C20H25NO2/c1-4-5-8-13-23-19-10-7-6-9-18(19)20(22)21-17-12-11-15(2)16(3)14-17/h6-7,9-12,14H,4-5,8,13H2,1-3H3,(H,21,22)
InChIKeyXODZOMSOJUNABU-UHFFFAOYSA-N
MW311.43 g/mol
LogP5.12
Rot. Bonds7

About N-(3,4-dimethylphenyl)-2-pentoxybenzamide

N-(3,4-dimethylphenyl)-2-pentoxybenzamide (PubChem CID 4946489) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-pentoxybenzamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-pentoxybenzamide
PubChem CID4946489
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC NameN-(3,4-dimethylphenyl)-2-pentoxybenzamide
SMILESCCCCCOc1ccccc1C(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C20H25NO2/c1-4-5-8-13-23-19-10-7-6-9-18(19)20(22)21-17-12-11-15(2)16(3)14-17/h6-7,9-12,14H,4-5,8,13H2,1-3H3,(H,21,22)
InChIKeyXODZOMSOJUNABU-UHFFFAOYSA-N
XLogP5.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.43
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dimethylphenyl)-2-[(2-propoxybenzoyl)amino]benzamide
CID 4948024
N-(3,4-dimethylphenyl)-2-[[2-(2-methoxyethoxy)benzoyl]amino]benzamide
CID 17355422
2-butoxy-N-(4-methylphenyl)benzamide
CID 4940933
2-pentoxy-N-(4-propoxyphenyl)benzamide
CID 4946753
2-pentoxy-N-[3-(phenylcarbamoyl)phenyl]benzamide
CID 54781200
N-(3-carbamoylphenyl)-2-pentoxybenzamide
CID 26160536
methyl 4-[(2-pentoxybenzoyl)amino]benzoate
CID 4946584
N-(3-acetamidophenyl)-2-butoxybenzamide
CID 17189815
N-(3,4-dimethylphenyl)-2-[[2-(3-methylbutoxy)benzoyl]amino]benzamide
CID 4943608
N-[4-[[(2-hexoxybenzoyl)amino]carbamoyl]phenyl]-2-methylbenzamide
CID 4942290
2-hexoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4958241
N-(2,4-dimethylphenyl)-2-pentoxybenzamide
CID 4946491

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-pentoxybenzamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-pentoxybenzamide (CID 4946489) is N-(3,4-dimethylphenyl)-2-pentoxybenzamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-pentoxybenzamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-pentoxybenzamide is CCCCCOc1ccccc1C(=O)Nc1ccc(C)c(C)c1.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-pentoxybenzamide?
The InChIKey is XODZOMSOJUNABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-4-5-8-13-23-19-10-7-6-9-18(19)20(22)21-17-12-11-15(2)16(3)14-17/h6-7,9-12,14H,4-5,8,13H2,1-3H3,(H,21,22).
What are the key properties of N-(3,4-dimethylphenyl)-2-pentoxybenzamide?
N-(3,4-dimethylphenyl)-2-pentoxybenzamide has a molecular weight of 311.43 g/mol, XLogP of 5.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-pentoxybenzamide is sourced from PubChem (CID 4946489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).