N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-N-methyl-2-phenoxypropanamide

C20H25NO5 — CID 23724243

IUPACN-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-N-methyl-2-phenoxypropanamide
SMILESCOc1ccc(OCC(O)CN(C)C(=O)C(C)Oc2ccccc2)cc1
InChIInChI=1S/C20H25NO5/c1-15(26-19-7-5-4-6-8-19)20(23)21(2)13-16(22)14-25-18-11-9-17(24-3)10-12-18/h4-12,15-16,22H,13-14H2,1-3H3
InChIKeyQVYICAWZKWVOKO-UHFFFAOYSA-N
MW359.42 g/mol
LogP2.36
Rot. Bonds9

About N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-N-methyl-2-phenoxypropanamide

N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-N-methyl-2-phenoxypropanamide (PubChem CID 23724243) has the molecular formula C20H25NO5 and a molecular weight of 359.42 g/mol. Its IUPAC name is N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-N-methyl-2-phenoxypropanamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-N-methyl-2-phenoxypropanamide
PubChem CID23724243
Molecular FormulaC20H25NO5
Molecular Weight359.42 g/mol
Exact Mass359.17
IUPAC NameN-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-N-methyl-2-phenoxypropanamide
SMILESCOc1ccc(OCC(O)CN(C)C(=O)C(C)Oc2ccccc2)cc1
InChIInChI=1S/C20H25NO5/c1-15(26-19-7-5-4-6-8-19)20(23)21(2)13-16(22)14-25-18-11-9-17(24-3)10-12-18/h4-12,15-16,22H,13-14H2,1-3H3
InChIKeyQVYICAWZKWVOKO-UHFFFAOYSA-N
XLogP2.36
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-(2-(((2S)-2-Hydroxy-3-phenoxypropyl)amino)ethoxy)phenoxy)-N-(2-methoxyethyl)acetamide
CID 121877
2-(4-(2-(((2R)-2-hydroxy-3-phenoxypropyl)amino)ethoxy)phenoxy)acetic acid
CID 6604779
N,N-bis(2-phenoxyethyl)acetamide
CID 728964
N,N-dimethyl-2-(4-phenoxyphenoxy)acetamide
CID 2308064
1-(2,6-Dimethyl-4-morpholinyl)-3-(4-methoxyphenoxy)-2-propanol hydrochloride
CID 2839486
1-[Methyl(2-phenoxyethyl)amino]-3-phenoxypropan-2-ol
CID 4309964
2-(4-methoxyphenoxy)-N-(6-{[(4-methoxyphenoxy)acetyl]amino}hexyl)acetamide
CID 4558233
2-Phenoxy-1-[4-(2-phenoxybutanoyl)piperazin-1-yl]butan-1-one
CID 2852913
Ici 215001
CID 164451
1-(4-Methoxyphenoxy)-3-morpholin-4-ylpropan-2-ol
CID 2830260
Morpholine, 4-((4-methoxyphenoxy)acetyl)-
CID 809046
ZD 7114 hydrochloride
CID 9890216

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-N-methyl-2-phenoxypropanamide?
The IUPAC name of N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-N-methyl-2-phenoxypropanamide (CID 23724243) is N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-N-methyl-2-phenoxypropanamide.
What is the SMILES notation for N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-N-methyl-2-phenoxypropanamide?
The canonical SMILES for N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-N-methyl-2-phenoxypropanamide is COc1ccc(OCC(O)CN(C)C(=O)C(C)Oc2ccccc2)cc1.
What is the InChIKey of N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-N-methyl-2-phenoxypropanamide?
The InChIKey is QVYICAWZKWVOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO5/c1-15(26-19-7-5-4-6-8-19)20(23)21(2)13-16(22)14-25-18-11-9-17(24-3)10-12-18/h4-12,15-16,22H,13-14H2,1-3H3.
What are the key properties of N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-N-methyl-2-phenoxypropanamide?
N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-N-methyl-2-phenoxypropanamide has a molecular weight of 359.42 g/mol, XLogP of 2.36, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-N-methyl-2-phenoxypropanamide is sourced from PubChem (CID 23724243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).