N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-3-phenylpropanamide

C22H27NO3 — CID 27448950

IUPACN-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-3-phenylpropanamide
SMILESCOc1ccc(C2(CNC(=O)CCc3ccccc3)CCOCC2)cc1
InChIInChI=1S/C22H27NO3/c1-25-20-10-8-19(9-11-20)22(13-15-26-16-14-22)17-23-21(24)12-7-18-5-3-2-4-6-18/h2-6,8-11H,7,12-17H2,1H3,(H,23,24)
InChIKeyDXTZDKBSHPPDFY-UHFFFAOYSA-N
MW353.46 g/mol
LogP3.49
Rot. Bonds7

About N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-3-phenylpropanamide

N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-3-phenylpropanamide (PubChem CID 27448950) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-3-phenylpropanamide
PubChem CID27448950
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC NameN-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-3-phenylpropanamide
SMILESCOc1ccc(C2(CNC(=O)CCc3ccccc3)CCOCC2)cc1
InChIInChI=1S/C22H27NO3/c1-25-20-10-8-19(9-11-20)22(13-15-26-16-14-22)17-23-21(24)12-7-18-5-3-2-4-6-18/h2-6,8-11H,7,12-17H2,1H3,(H,23,24)
InChIKeyDXTZDKBSHPPDFY-UHFFFAOYSA-N
XLogP3.49
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]propanamide
CID 60573347
N-[(4-phenyloxan-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 71806730
3-(4-cyanophenyl)-N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]propanamide
CID 60573373
2-(4-methoxyphenoxy)-N-[(4-phenyloxan-4-yl)methyl]propanamide
CID 133228915
3-amino-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methyl-3-phenylpropanamide
CID 119749994
1-(2-fluorophenyl)-3-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]urea
CID 47071711
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-phenyl-2-phenylsulfanylacetamide
CID 60578416
N'-(2-methoxyphenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]oxamide
CID 7647050
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 56761223
5-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]furan-2-carboxamide
CID 86836755
2-ethoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27448887
1-[1-(4-methoxyphenyl)-2-methylpropyl]-3-[(4-phenyloxan-4-yl)methyl]urea
CID 55794290

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-3-phenylpropanamide?
The IUPAC name of N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-3-phenylpropanamide (CID 27448950) is N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-3-phenylpropanamide.
What is the SMILES notation for N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-3-phenylpropanamide?
The canonical SMILES for N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-3-phenylpropanamide is COc1ccc(C2(CNC(=O)CCc3ccccc3)CCOCC2)cc1.
What is the InChIKey of N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-3-phenylpropanamide?
The InChIKey is DXTZDKBSHPPDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3/c1-25-20-10-8-19(9-11-20)22(13-15-26-16-14-22)17-23-21(24)12-7-18-5-3-2-4-6-18/h2-6,8-11H,7,12-17H2,1H3,(H,23,24).
What are the key properties of N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-3-phenylpropanamide?
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-3-phenylpropanamide has a molecular weight of 353.46 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-3-phenylpropanamide is sourced from PubChem (CID 27448950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).