N-[(3-methoxy-4-propoxyphenyl)methyl]-4-propoxybenzamide

C21H27NO4 — CID 54777018

IUPACN-[(3-methoxy-4-propoxyphenyl)methyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)NCc2ccc(OCCC)c(OC)c2)cc1
InChIInChI=1S/C21H27NO4/c1-4-12-25-18-9-7-17(8-10-18)21(23)22-15-16-6-11-19(26-13-5-2)20(14-16)24-3/h6-11,14H,4-5,12-13,15H2,1-3H3,(H,22,23)
InChIKeyTXQRBMPWYLUSAE-UHFFFAOYSA-N
MW357.45 g/mol
LogP4.20
Rot. Bonds10

About N-[(3-methoxy-4-propoxyphenyl)methyl]-4-propoxybenzamide

N-[(3-methoxy-4-propoxyphenyl)methyl]-4-propoxybenzamide (PubChem CID 54777018) has the molecular formula C21H27NO4 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-[(3-methoxy-4-propoxyphenyl)methyl]-4-propoxybenzamide.

Molecular Properties

Compound NameN-[(3-methoxy-4-propoxyphenyl)methyl]-4-propoxybenzamide
PubChem CID54777018
Molecular FormulaC21H27NO4
Molecular Weight357.45 g/mol
Exact Mass357.19
IUPAC NameN-[(3-methoxy-4-propoxyphenyl)methyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)NCc2ccc(OCCC)c(OC)c2)cc1
InChIInChI=1S/C21H27NO4/c1-4-12-25-18-9-7-17(8-10-18)21(23)22-15-16-6-11-19(26-13-5-2)20(14-16)24-3/h6-11,14H,4-5,12-13,15H2,1-3H3,(H,22,23)
InChIKeyTXQRBMPWYLUSAE-UHFFFAOYSA-N
XLogP4.20
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 ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-hexoxy-N-[(3-methoxy-4-propoxyphenyl)methyl]benzamide
CID 54776997
methyl 4-[(3-methoxy-4-propoxyphenyl)methylcarbamoyl]benzoate
CID 46409549
4-hexoxy-N-[(3-methoxy-4-propoxyphenyl)methylcarbamothioyl]benzamide
CID 54777257
4-ethoxy-N-[1-[(3-methoxy-4-propoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55632481
N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-3-propoxybenzamide
CID 54776757
2-(4-tert-butylphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]acetamide
CID 54777035
N-[(3-methoxy-4-propoxyphenyl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 55632582
N-[(4-dodecoxy-3-methoxyphenyl)methyl]-1-ethylpyridin-1-ium-4-carboxamide
CID 19014561
N-[(4-butoxy-3-methoxyphenyl)methyl]-2,4-dimethoxybenzamide
CID 39971385
N-[(3-methoxy-4-propoxyphenyl)methyl]-1,2,5-thiadiazole-3-carboxamide
CID 87040686
N-[(3,4-dimethoxyphenyl)methyl]-4-(phenoxymethyl)benzamide
CID 112789277
N-[(3-methoxy-4-propoxyphenyl)methyl]-5-(phenoxymethyl)furan-2-carboxamide
CID 46447003

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-propoxyphenyl)methyl]-4-propoxybenzamide?
The IUPAC name of N-[(3-methoxy-4-propoxyphenyl)methyl]-4-propoxybenzamide (CID 54777018) is N-[(3-methoxy-4-propoxyphenyl)methyl]-4-propoxybenzamide.
What is the SMILES notation for N-[(3-methoxy-4-propoxyphenyl)methyl]-4-propoxybenzamide?
The canonical SMILES for N-[(3-methoxy-4-propoxyphenyl)methyl]-4-propoxybenzamide is CCCOc1ccc(C(=O)NCc2ccc(OCCC)c(OC)c2)cc1.
What is the InChIKey of N-[(3-methoxy-4-propoxyphenyl)methyl]-4-propoxybenzamide?
The InChIKey is TXQRBMPWYLUSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO4/c1-4-12-25-18-9-7-17(8-10-18)21(23)22-15-16-6-11-19(26-13-5-2)20(14-16)24-3/h6-11,14H,4-5,12-13,15H2,1-3H3,(H,22,23).
What are the key properties of N-[(3-methoxy-4-propoxyphenyl)methyl]-4-propoxybenzamide?
N-[(3-methoxy-4-propoxyphenyl)methyl]-4-propoxybenzamide has a molecular weight of 357.45 g/mol, XLogP of 4.20, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-propoxyphenyl)methyl]-4-propoxybenzamide is sourced from PubChem (CID 54777018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).