2-[4-[2-[[2-hydroxy-2-(4-phenylmethoxyphenyl)ethyl]amino]propyl]phenoxy]butanamide

C28H34N2O4 — CID 67933250

IUPAC2-[4-[2-[[2-hydroxy-2-(4-phenylmethoxyphenyl)ethyl]amino]propyl]phenoxy]butanamide
SMILESCCC(Oc1ccc(CC(C)NCC(O)c2ccc(OCc3ccccc3)cc2)cc1)C(N)=O
InChIInChI=1S/C28H34N2O4/c1-3-27(28(29)32)34-25-13-9-21(10-14-25)17-20(2)30-18-26(31)23-11-15-24(16-12-23)33-19-22-7-5-4-6-8-22/h4-16,20,26-27,30-31H,3,17-19H2,1-2H3,(H2,29,32)
InChIKeyZHMMSETWPSGPGF-UHFFFAOYSA-N
MW462.59 g/mol
LogP4.16
Rot. Bonds13

About 2-[4-[2-[[2-hydroxy-2-(4-phenylmethoxyphenyl)ethyl]amino]propyl]phenoxy]butanamide

2-[4-[2-[[2-hydroxy-2-(4-phenylmethoxyphenyl)ethyl]amino]propyl]phenoxy]butanamide (PubChem CID 67933250) has the molecular formula C28H34N2O4 and a molecular weight of 462.59 g/mol. Its IUPAC name is 2-[4-[2-[[2-hydroxy-2-(4-phenylmethoxyphenyl)ethyl]amino]propyl]phenoxy]butanamide.

Molecular Properties

Compound Name2-[4-[2-[[2-hydroxy-2-(4-phenylmethoxyphenyl)ethyl]amino]propyl]phenoxy]butanamide
PubChem CID67933250
Molecular FormulaC28H34N2O4
Molecular Weight462.59 g/mol
Exact Mass462.25
IUPAC Name2-[4-[2-[[2-hydroxy-2-(4-phenylmethoxyphenyl)ethyl]amino]propyl]phenoxy]butanamide
SMILESCCC(Oc1ccc(CC(C)NCC(O)c2ccc(OCc3ccccc3)cc2)cc1)C(N)=O
InChIInChI=1S/C28H34N2O4/c1-3-27(28(29)32)34-25-13-9-21(10-14-25)17-20(2)30-18-26(31)23-11-15-24(16-12-23)33-19-22-7-5-4-6-8-22/h4-16,20,26-27,30-31H,3,17-19H2,1-2H3,(H2,29,32)
InChIKeyZHMMSETWPSGPGF-UHFFFAOYSA-N
XLogP4.16
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.59
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[4-[2-[[2-hydroxy-2-(4-phenylmethoxyphenyl)ethyl]amino]propyl]phenoxy]butanamide with MolForge

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Related Compounds

(1R)-2-[[(2R)-1-[4-(1-hydroxyethoxy)phenyl]propan-2-yl]amino]-1-phenylethanol
CID 154335865
methyl 2-[4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]phenoxy]acetate
CID 154281922
(1R)-1-[4-[2-[[(2S)-1-phenylpropan-2-yl]amino]ethoxy]phenyl]propan-1-ol
CID 76965912
methyl 2-[4-[2-[[2-hydroxy-3-(4-phenylmethoxyphenoxy)propyl]amino]propyl]phenoxy]acetate
CID 19690919
2-(hydroxymethyl)-4-[(1R)-1-hydroxy-2-[[(2R)-1-[4-(2-phenylmethoxyethoxy)phenyl]propan-2-yl]amino]ethyl]phenol
CID 10195165
methyl 4-[(2S)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]benzoate
CID 22823728
3-hydroxy-3-(4-phenylmethoxyphenyl)propanamide
CID 110024303
methyl 2-hydroxy-3-(4-phenylmethoxyphenyl)propanoate
CID 10493427
2-phenoxy-N-(4-phenylmethoxyphenyl)butanamide
CID 2944488
methyl 2-[4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenoxy]pentanoate
CID 139655941
2-(4-ethylphenoxy)-N-(4-phenylmethoxyphenyl)butanamide
CID 132659062
ethyl 2-(4-chlorophenoxy)-3-(4-phenylmethoxyphenyl)propanoate
CID 18625711

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[[2-hydroxy-2-(4-phenylmethoxyphenyl)ethyl]amino]propyl]phenoxy]butanamide?
The IUPAC name of 2-[4-[2-[[2-hydroxy-2-(4-phenylmethoxyphenyl)ethyl]amino]propyl]phenoxy]butanamide (CID 67933250) is 2-[4-[2-[[2-hydroxy-2-(4-phenylmethoxyphenyl)ethyl]amino]propyl]phenoxy]butanamide.
What is the SMILES notation for 2-[4-[2-[[2-hydroxy-2-(4-phenylmethoxyphenyl)ethyl]amino]propyl]phenoxy]butanamide?
The canonical SMILES for 2-[4-[2-[[2-hydroxy-2-(4-phenylmethoxyphenyl)ethyl]amino]propyl]phenoxy]butanamide is CCC(Oc1ccc(CC(C)NCC(O)c2ccc(OCc3ccccc3)cc2)cc1)C(N)=O.
What is the InChIKey of 2-[4-[2-[[2-hydroxy-2-(4-phenylmethoxyphenyl)ethyl]amino]propyl]phenoxy]butanamide?
The InChIKey is ZHMMSETWPSGPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O4/c1-3-27(28(29)32)34-25-13-9-21(10-14-25)17-20(2)30-18-26(31)23-11-15-24(16-12-23)33-19-22-7-5-4-6-8-22/h4-16,20,26-27,30-31H,3,17-19H2,1-2H3,(H2,29,32).
What are the key properties of 2-[4-[2-[[2-hydroxy-2-(4-phenylmethoxyphenyl)ethyl]amino]propyl]phenoxy]butanamide?
2-[4-[2-[[2-hydroxy-2-(4-phenylmethoxyphenyl)ethyl]amino]propyl]phenoxy]butanamide has a molecular weight of 462.59 g/mol, XLogP of 4.16, 13 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[[2-hydroxy-2-(4-phenylmethoxyphenyl)ethyl]amino]propyl]phenoxy]butanamide is sourced from PubChem (CID 67933250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).