2-(4-methoxyphenoxy)-N-[(4-phenyloxan-4-yl)methyl]propanamide

C22H27NO4 — CID 133228915

IUPAC2-(4-methoxyphenoxy)-N-[(4-phenyloxan-4-yl)methyl]propanamide
SMILESCOc1ccc(OC(C)C(=O)NCC2(c3ccccc3)CCOCC2)cc1
InChIInChI=1S/C22H27NO4/c1-17(27-20-10-8-19(25-2)9-11-20)21(24)23-16-22(12-14-26-15-13-22)18-6-4-3-5-7-18/h3-11,17H,12-16H2,1-2H3,(H,23,24)
InChIKeyYAOZQHIAYPNEHF-UHFFFAOYSA-N
MW369.46 g/mol
LogP3.33
Rot. Bonds7

About 2-(4-methoxyphenoxy)-N-[(4-phenyloxan-4-yl)methyl]propanamide

2-(4-methoxyphenoxy)-N-[(4-phenyloxan-4-yl)methyl]propanamide (PubChem CID 133228915) has the molecular formula C22H27NO4 and a molecular weight of 369.46 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-[(4-phenyloxan-4-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-[(4-phenyloxan-4-yl)methyl]propanamide
PubChem CID133228915
Molecular FormulaC22H27NO4
Molecular Weight369.46 g/mol
Exact Mass369.19
IUPAC Name2-(4-methoxyphenoxy)-N-[(4-phenyloxan-4-yl)methyl]propanamide
SMILESCOc1ccc(OC(C)C(=O)NCC2(c3ccccc3)CCOCC2)cc1
InChIInChI=1S/C22H27NO4/c1-17(27-20-10-8-19(25-2)9-11-20)21(24)23-16-22(12-14-26-15-13-22)18-6-4-3-5-7-18/h3-11,17H,12-16H2,1-2H3,(H,23,24)
InChIKeyYAOZQHIAYPNEHF-UHFFFAOYSA-N
XLogP3.33
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methyl-3-phenylpropanamide
CID 119749994
(2S)-2-(4-methoxy-N-methylsulfonylanilino)-N-[(4-phenyloxan-4-yl)methyl]propanamide
CID 100718161
1-[1-(4-methoxyphenyl)-2-methylpropyl]-3-[(4-phenyloxan-4-yl)methyl]urea
CID 55794290
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-phenyl-2-phenylsulfanylacetamide
CID 60578416
2-amino-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-3-methylpentanamide
CID 119750018
N-[(4-phenyloxan-4-yl)methyl]-2-phenylsulfanylpropanamide
CID 133210947
1-[[2-(4-methoxyphenoxy)propanoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115449554
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-3-phenylpropanamide
CID 27448950
1-(2-fluorophenyl)-3-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]urea
CID 47071711
N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-2,2-diphenylacetamide
CID 113090745
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-3-(4-propan-2-yloxyphenyl)prop-2-enamide
CID 71964859
2-(4-chloro-3-methylphenoxy)-N-[(4-phenyloxan-4-yl)methyl]butanamide
CID 133160705

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-[(4-phenyloxan-4-yl)methyl]propanamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-[(4-phenyloxan-4-yl)methyl]propanamide (CID 133228915) is 2-(4-methoxyphenoxy)-N-[(4-phenyloxan-4-yl)methyl]propanamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-[(4-phenyloxan-4-yl)methyl]propanamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-[(4-phenyloxan-4-yl)methyl]propanamide is COc1ccc(OC(C)C(=O)NCC2(c3ccccc3)CCOCC2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-[(4-phenyloxan-4-yl)methyl]propanamide?
The InChIKey is YAOZQHIAYPNEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO4/c1-17(27-20-10-8-19(25-2)9-11-20)21(24)23-16-22(12-14-26-15-13-22)18-6-4-3-5-7-18/h3-11,17H,12-16H2,1-2H3,(H,23,24).
What are the key properties of 2-(4-methoxyphenoxy)-N-[(4-phenyloxan-4-yl)methyl]propanamide?
2-(4-methoxyphenoxy)-N-[(4-phenyloxan-4-yl)methyl]propanamide has a molecular weight of 369.46 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-[(4-phenyloxan-4-yl)methyl]propanamide is sourced from PubChem (CID 133228915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).