4-butoxy-N-ethyl-3-methoxy-N-phenylbenzamide

C20H25NO3 — CID 134028659

IUPAC4-butoxy-N-ethyl-3-methoxy-N-phenylbenzamide
SMILESCCCCOc1ccc(C(=O)N(CC)c2ccccc2)cc1OC
InChIInChI=1S/C20H25NO3/c1-4-6-14-24-18-13-12-16(15-19(18)23-3)20(22)21(5-2)17-10-8-7-9-11-17/h7-13,15H,4-6,14H2,1-3H3
InChIKeyQFSLOXHJGMZVQF-UHFFFAOYSA-N
MW327.42 g/mol
LogP4.54
Rot. Bonds8

About 4-butoxy-N-ethyl-3-methoxy-N-phenylbenzamide

4-butoxy-N-ethyl-3-methoxy-N-phenylbenzamide (PubChem CID 134028659) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 4-butoxy-N-ethyl-3-methoxy-N-phenylbenzamide.

Molecular Properties

Compound Name4-butoxy-N-ethyl-3-methoxy-N-phenylbenzamide
PubChem CID134028659
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name4-butoxy-N-ethyl-3-methoxy-N-phenylbenzamide
SMILESCCCCOc1ccc(C(=O)N(CC)c2ccccc2)cc1OC
InChIInChI=1S/C20H25NO3/c1-4-6-14-24-18-13-12-16(15-19(18)23-3)20(22)21(5-2)17-10-8-7-9-11-17/h7-13,15H,4-6,14H2,1-3H3
InChIKeyQFSLOXHJGMZVQF-UHFFFAOYSA-N
XLogP4.54
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-ethoxy-4-[ethyl(phenyl)carbamoyl]phenoxy]acetic acid
CID 119179131
N'-benzoyl-4-butoxy-3-methoxybenzohydrazide
CID 9440054
3-bromo-N-ethyl-N-phenyl-4-(2-phenylethoxy)benzamide
CID 17072637
N-ethyl-4-(2-phenoxyethoxy)-N-phenylbenzamide
CID 4952665
4-butoxy-3-methoxybenzamide
CID 47102628
3-amino-N-ethyl-4,5-dimethoxy-N-phenylbenzamide
CID 82183957
N-ethyl-3-methoxy-N-phenylbenzamide
CID 3345220
4-ethoxy-N-ethyl-N-phenylbenzamide
CID 721190
4-butoxy-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3-methoxybenzamide
CID 56512309
N-(3,4-dimethoxyphenyl)-N-ethyl-4-hydroxybenzamide
CID 142915133
3-ethoxy-N-methyl-N-phenyl-4-propoxybenzamide
CID 78783998
4-butoxy-3-methoxy-N-(2-propoxyphenyl)benzamide
CID 26897955

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-ethyl-3-methoxy-N-phenylbenzamide?
The IUPAC name of 4-butoxy-N-ethyl-3-methoxy-N-phenylbenzamide (CID 134028659) is 4-butoxy-N-ethyl-3-methoxy-N-phenylbenzamide.
What is the SMILES notation for 4-butoxy-N-ethyl-3-methoxy-N-phenylbenzamide?
The canonical SMILES for 4-butoxy-N-ethyl-3-methoxy-N-phenylbenzamide is CCCCOc1ccc(C(=O)N(CC)c2ccccc2)cc1OC.
What is the InChIKey of 4-butoxy-N-ethyl-3-methoxy-N-phenylbenzamide?
The InChIKey is QFSLOXHJGMZVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-4-6-14-24-18-13-12-16(15-19(18)23-3)20(22)21(5-2)17-10-8-7-9-11-17/h7-13,15H,4-6,14H2,1-3H3.
What are the key properties of 4-butoxy-N-ethyl-3-methoxy-N-phenylbenzamide?
4-butoxy-N-ethyl-3-methoxy-N-phenylbenzamide has a molecular weight of 327.42 g/mol, XLogP of 4.54, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-ethyl-3-methoxy-N-phenylbenzamide is sourced from PubChem (CID 134028659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).