4-butoxy-3-methoxy-N-(2-propoxyphenyl)benzamide

C21H27NO4 — CID 26897955

IUPAC4-butoxy-3-methoxy-N-(2-propoxyphenyl)benzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccccc2OCCC)cc1OC
InChIInChI=1S/C21H27NO4/c1-4-6-14-26-19-12-11-16(15-20(19)24-3)21(23)22-17-9-7-8-10-18(17)25-13-5-2/h7-12,15H,4-6,13-14H2,1-3H3,(H,22,23)
InChIKeyQKRWZIGJJSPHQK-UHFFFAOYSA-N
MW357.45 g/mol
LogP4.92
Rot. Bonds10

About 4-butoxy-3-methoxy-N-(2-propoxyphenyl)benzamide

4-butoxy-3-methoxy-N-(2-propoxyphenyl)benzamide (PubChem CID 26897955) has the molecular formula C21H27NO4 and a molecular weight of 357.45 g/mol. Its IUPAC name is 4-butoxy-3-methoxy-N-(2-propoxyphenyl)benzamide.

Molecular Properties

Compound Name4-butoxy-3-methoxy-N-(2-propoxyphenyl)benzamide
PubChem CID26897955
Molecular FormulaC21H27NO4
Molecular Weight357.45 g/mol
Exact Mass357.19
IUPAC Name4-butoxy-3-methoxy-N-(2-propoxyphenyl)benzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccccc2OCCC)cc1OC
InChIInChI=1S/C21H27NO4/c1-4-6-14-26-19-12-11-16(15-20(19)24-3)21(23)22-17-9-7-8-10-18(17)25-13-5-2/h7-12,15H,4-6,13-14H2,1-3H3,(H,22,23)
InChIKeyQKRWZIGJJSPHQK-UHFFFAOYSA-N
XLogP4.92
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N,4-N-bis(2-butoxyphenyl)benzene-1,4-dicarboxamide
CID 17087319
3-amino-4-propoxy-N-(2-propoxyphenyl)benzamide
CID 110499861
N-(2,3-dimethylphenyl)-3-methoxy-4-propoxybenzamide
CID 2599686
N-(2-benzylphenyl)-3-methoxy-4-propoxybenzamide
CID 2461218
3,4-diethoxy-N-(2-methoxyphenyl)benzamide
CID 669527
methyl 3-methoxy-4-[2-oxo-2-(2-propoxyanilino)ethoxy]benzoate
CID 24571020
4-butoxy-3-methoxy-N-quinolin-8-ylbenzamide
CID 26123508
N'-benzoyl-4-butoxy-3-methoxybenzohydrazide
CID 9440054
4-butoxy-3-methoxy-N-(3-methoxyphenyl)benzamide
CID 26914609
4-hexoxy-N-(2-methoxyphenyl)benzamide
CID 4933658
4-butoxy-N-(2,4-dichlorophenyl)-3-methoxybenzamide
CID 26115429
N-(2-methoxyphenyl)-4-[(4-propoxybenzoyl)amino]benzamide
CID 4879742

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-3-methoxy-N-(2-propoxyphenyl)benzamide?
The IUPAC name of 4-butoxy-3-methoxy-N-(2-propoxyphenyl)benzamide (CID 26897955) is 4-butoxy-3-methoxy-N-(2-propoxyphenyl)benzamide.
What is the SMILES notation for 4-butoxy-3-methoxy-N-(2-propoxyphenyl)benzamide?
The canonical SMILES for 4-butoxy-3-methoxy-N-(2-propoxyphenyl)benzamide is CCCCOc1ccc(C(=O)Nc2ccccc2OCCC)cc1OC.
What is the InChIKey of 4-butoxy-3-methoxy-N-(2-propoxyphenyl)benzamide?
The InChIKey is QKRWZIGJJSPHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO4/c1-4-6-14-26-19-12-11-16(15-20(19)24-3)21(23)22-17-9-7-8-10-18(17)25-13-5-2/h7-12,15H,4-6,13-14H2,1-3H3,(H,22,23).
What are the key properties of 4-butoxy-3-methoxy-N-(2-propoxyphenyl)benzamide?
4-butoxy-3-methoxy-N-(2-propoxyphenyl)benzamide has a molecular weight of 357.45 g/mol, XLogP of 4.92, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-3-methoxy-N-(2-propoxyphenyl)benzamide is sourced from PubChem (CID 26897955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).