2-[4-[(2R)-2-[bis[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]phenoxy]-N-methylacetamide

C28H34N2O4 — CID 70494983

IUPAC2-[4-[(2R)-2-[bis[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]phenoxy]-N-methylacetamide
SMILESCNC(=O)COc1ccc(C[C@@H](C)N(C[C@H](O)c2ccccc2)C[C@H](O)c2ccccc2)cc1
InChIInChI=1S/C28H34N2O4/c1-21(17-22-13-15-25(16-14-22)34-20-28(33)29-2)30(18-26(31)23-9-5-3-6-10-23)19-27(32)24-11-7-4-8-12-24/h3-16,21,26-27,31-32H,17-20H2,1-2H3,(H,29,33)/t21-,26+,27+/m1/s1
InChIKeyJPOMTAZLMXVMHN-AIGMYPEUSA-N
MW462.59 g/mol
LogP3.51
Rot. Bonds12

About 2-[4-[(2R)-2-[bis[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]phenoxy]-N-methylacetamide

2-[4-[(2R)-2-[bis[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]phenoxy]-N-methylacetamide (PubChem CID 70494983) has the molecular formula C28H34N2O4 and a molecular weight of 462.59 g/mol. Its IUPAC name is 2-[4-[(2R)-2-[bis[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]phenoxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[(2R)-2-[bis[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]phenoxy]-N-methylacetamide
PubChem CID70494983
Molecular FormulaC28H34N2O4
Molecular Weight462.59 g/mol
Exact Mass462.25
IUPAC Name2-[4-[(2R)-2-[bis[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]phenoxy]-N-methylacetamide
SMILESCNC(=O)COc1ccc(C[C@@H](C)N(C[C@H](O)c2ccccc2)C[C@H](O)c2ccccc2)cc1
InChIInChI=1S/C28H34N2O4/c1-21(17-22-13-15-25(16-14-22)34-20-28(33)29-2)30(18-26(31)23-9-5-3-6-10-23)19-27(32)24-11-7-4-8-12-24/h3-16,21,26-27,31-32H,17-20H2,1-2H3,(H,29,33)/t21-,26+,27+/m1/s1
InChIKeyJPOMTAZLMXVMHN-AIGMYPEUSA-N
XLogP3.51
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.59
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(2R)-2-[bis[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]phenoxy]-N-methylacetamide with MolForge

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Related Compounds

ethyl 2-[4-[(2R)-2-[bis[(2S)-2-hydroxy-2-phenylethyl]amino]propyl]phenoxy]acetate;hydrochloride
CID 70387768
methyl 2-[4-[2-[benzyl-[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenoxy]acetate;hydrochloride
CID 21276521
ethane;2-hydroxy-3-[4-[2-(methylamino)-2-oxoethoxy]phenyl]propanoic acid
CID 142975502
methyl 2-[4-[2-[[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-(2-hydroxyethyl)amino]propyl]phenoxy]acetate
CID 70381331
2-[4-[(2R)-2-[bis[2-(6-chloro-2-pyridinyl)-2-hydroxyethyl]amino]propyl]phenoxy]acetic acid
CID 88514706
(1R)-1-(3-chlorophenyl)-2-[[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-[(2R)-1-[4-[2-(2-phenylethoxy)ethoxy]phenyl]propan-2-yl]amino]ethanol
CID 54457072
2-[4-[2-[(2-hydroxy-2-phenylpropyl)amino]propyl]phenoxy]-N-methylacetamide
CID 57018327
methyl 2-[4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]phenoxy]acetate
CID 154281922
N-[2-(methylamino)-2-oxoethoxy]-2-phenoxyacetamide
CID 110495620
N-[2-(diethylamino)-2-phenylethyl]-2-(4-ethylphenoxy)acetamide
CID 45155375
1-[4-[2-[bis(2-hydroxy-3-phenoxypropyl)amino]propyl]phenyl]ethanone
CID 19809079
2-(4-ethylphenoxy)-N-[2-(methylamino)-2-oxoethoxy]acetamide
CID 110495647

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2R)-2-[bis[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]phenoxy]-N-methylacetamide?
The IUPAC name of 2-[4-[(2R)-2-[bis[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]phenoxy]-N-methylacetamide (CID 70494983) is 2-[4-[(2R)-2-[bis[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]phenoxy]-N-methylacetamide.
What is the SMILES notation for 2-[4-[(2R)-2-[bis[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]phenoxy]-N-methylacetamide?
The canonical SMILES for 2-[4-[(2R)-2-[bis[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]phenoxy]-N-methylacetamide is CNC(=O)COc1ccc(C[C@@H](C)N(C[C@H](O)c2ccccc2)C[C@H](O)c2ccccc2)cc1.
What is the InChIKey of 2-[4-[(2R)-2-[bis[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]phenoxy]-N-methylacetamide?
The InChIKey is JPOMTAZLMXVMHN-AIGMYPEUSA-N. The full InChI is InChI=1S/C28H34N2O4/c1-21(17-22-13-15-25(16-14-22)34-20-28(33)29-2)30(18-26(31)23-9-5-3-6-10-23)19-27(32)24-11-7-4-8-12-24/h3-16,21,26-27,31-32H,17-20H2,1-2H3,(H,29,33)/t21-,26+,27+/m1/s1.
What are the key properties of 2-[4-[(2R)-2-[bis[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]phenoxy]-N-methylacetamide?
2-[4-[(2R)-2-[bis[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]phenoxy]-N-methylacetamide has a molecular weight of 462.59 g/mol, XLogP of 3.51, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2R)-2-[bis[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]phenoxy]-N-methylacetamide is sourced from PubChem (CID 70494983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).