3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide

C20H25NO3 — CID 52573357

IUPAC3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
SMILESCOc1ccc(CCC(=O)NCc2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C20H25NO3/c1-15(2)24-19-11-6-17(7-12-19)14-21-20(22)13-8-16-4-9-18(23-3)10-5-16/h4-7,9-12,15H,8,13-14H2,1-3H3,(H,21,22)
InChIKeyCDXXWCRLCZPACU-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.73
Rot. Bonds8

About 3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide

3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide (PubChem CID 52573357) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
PubChem CID52573357
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
SMILESCOc1ccc(CCC(=O)NCc2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C20H25NO3/c1-15(2)24-19-11-6-17(7-12-19)14-21-20(22)13-8-16-4-9-18(23-3)10-5-16/h4-7,9-12,15H,8,13-14H2,1-3H3,(H,21,22)
InChIKeyCDXXWCRLCZPACU-UHFFFAOYSA-N
XLogP3.73
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309
N-[(4-hydroxyphenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 115577590
3-(4-methoxyphenyl)-N-(4-propan-2-yloxyphenyl)propanamide
CID 19221042
2-[(4-methoxyphenyl)methylamino]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 54838126
N,N'-bis[(4-propan-2-yloxyphenyl)methyl]decanediamide
CID 43911135
3-(3,4-dichlorophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 100595712
N-[(4-propan-2-yloxyphenyl)methyl]-3-sulfanylpropanamide
CID 115167853
3-(4-methoxyphenyl)-N-[(4-methylsulfonylphenyl)methyl]propanamide
CID 110784513
N-[2-(4-methoxyphenyl)ethyl]-3-(4-propan-2-yloxyanilino)propanamide
CID 109025818
N-propan-2-yl-3-(4-propan-2-yloxyphenyl)propanamide
CID 170371171
N-[(4-propan-2-yloxyphenyl)methyl]tetradecanamide
CID 54792167
3-(3,4-dimethoxyphenyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide
CID 33155420

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide (CID 52573357) is 3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide is COc1ccc(CCC(=O)NCc2ccc(OC(C)C)cc2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide?
The InChIKey is CDXXWCRLCZPACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-15(2)24-19-11-6-17(7-12-19)14-21-20(22)13-8-16-4-9-18(23-3)10-5-16/h4-7,9-12,15H,8,13-14H2,1-3H3,(H,21,22).
What are the key properties of 3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide?
3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide has a molecular weight of 327.42 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide is sourced from PubChem (CID 52573357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).