(2R)-2-[N-[3-(2-hydroxyphenyl)propyl]-3,4-dimethoxyanilino]-N-methyl-2-phenylacetamide

C26H30N2O4 — CID 69042296

IUPAC(2R)-2-[N-[3-(2-hydroxyphenyl)propyl]-3,4-dimethoxyanilino]-N-methyl-2-phenylacetamide
SMILESCNC(=O)[C@@H](c1ccccc1)N(CCCc1ccccc1O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C26H30N2O4/c1-27-26(30)25(20-11-5-4-6-12-20)28(17-9-13-19-10-7-8-14-22(19)29)21-15-16-23(31-2)24(18-21)32-3/h4-8,10-12,14-16,18,25,29H,9,13,17H2,1-3H3,(H,27,30)/t25-/m1/s1
InChIKeyCTVZQXCXWYVSHA-RUZDIDTESA-N
MW434.54 g/mol
LogP4.34
Rot. Bonds10

About (2R)-2-[N-[3-(2-hydroxyphenyl)propyl]-3,4-dimethoxyanilino]-N-methyl-2-phenylacetamide

(2R)-2-[N-[3-(2-hydroxyphenyl)propyl]-3,4-dimethoxyanilino]-N-methyl-2-phenylacetamide (PubChem CID 69042296) has the molecular formula C26H30N2O4 and a molecular weight of 434.54 g/mol. Its IUPAC name is (2R)-2-[N-[3-(2-hydroxyphenyl)propyl]-3,4-dimethoxyanilino]-N-methyl-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[N-[3-(2-hydroxyphenyl)propyl]-3,4-dimethoxyanilino]-N-methyl-2-phenylacetamide
PubChem CID69042296
Molecular FormulaC26H30N2O4
Molecular Weight434.54 g/mol
Exact Mass434.22
IUPAC Name(2R)-2-[N-[3-(2-hydroxyphenyl)propyl]-3,4-dimethoxyanilino]-N-methyl-2-phenylacetamide
SMILESCNC(=O)[C@@H](c1ccccc1)N(CCCc1ccccc1O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C26H30N2O4/c1-27-26(30)25(20-11-5-4-6-12-20)28(17-9-13-19-10-7-8-14-22(19)29)21-15-16-23(31-2)24(18-21)32-3/h4-8,10-12,14-16,18,25,29H,9,13,17H2,1-3H3,(H,27,30)/t25-/m1/s1
InChIKeyCTVZQXCXWYVSHA-RUZDIDTESA-N
XLogP4.34
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[3,4-dimethoxy-N-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]anilino]-N-methyl-2-phenylacetamide
CID 69041629
(2R)-2-[3,4-dimethoxy-N-[3-[4-(trifluoromethyl)phenyl]propyl]anilino]-2-(4-fluorophenyl)-N-methylacetamide
CID 69043156
(2S)-2-[4-fluoro-N-[3-(2-fluorophenyl)propyl]-3-methylanilino]-N-methyl-2-phenylacetamide
CID 69041041
2-[4-chloro-N-[3-(4-methoxyphenyl)propyl]anilino]-N-methyl-2-phenylacetamide
CID 69039817
2-[3,4-dimethyl-N-[3-[4-(trifluoromethyl)phenyl]propyl]anilino]-N-methyl-2-phenylacetamide
CID 69041685
2-[4-fluoro-3-methyl-N-[3-(4-methylsulfonylphenyl)propyl]anilino]-N-methyl-2-phenylacetamide
CID 69043321
N-methyl-2-[4-methyl-N-[3-[4-(trifluoromethyl)phenyl]propyl]anilino]-2-phenylacetamide
CID 69039769
(2S)-N-methyl-2-phenyl-2-[3-(trifluoromethoxy)-N-[3-[4-(trifluoromethyl)phenyl]propyl]anilino]acetamide;hydrochloride
CID 87668307
(2S)-2-[4-chloro-3-methoxy-N-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]anilino]-2-(4-fluorophenyl)-N-methylacetamide
CID 69039826
1-(3,4-dimethoxyphenyl)-1-hydroxy-3-(2-hydroxyphenyl)propan-2-one
CID 141195556
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylpropanamide
CID 22026290
2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N,2-diphenylacetamide
CID 55471442

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[N-[3-(2-hydroxyphenyl)propyl]-3,4-dimethoxyanilino]-N-methyl-2-phenylacetamide?
The IUPAC name of (2R)-2-[N-[3-(2-hydroxyphenyl)propyl]-3,4-dimethoxyanilino]-N-methyl-2-phenylacetamide (CID 69042296) is (2R)-2-[N-[3-(2-hydroxyphenyl)propyl]-3,4-dimethoxyanilino]-N-methyl-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[N-[3-(2-hydroxyphenyl)propyl]-3,4-dimethoxyanilino]-N-methyl-2-phenylacetamide?
The canonical SMILES for (2R)-2-[N-[3-(2-hydroxyphenyl)propyl]-3,4-dimethoxyanilino]-N-methyl-2-phenylacetamide is CNC(=O)[C@@H](c1ccccc1)N(CCCc1ccccc1O)c1ccc(OC)c(OC)c1.
What is the InChIKey of (2R)-2-[N-[3-(2-hydroxyphenyl)propyl]-3,4-dimethoxyanilino]-N-methyl-2-phenylacetamide?
The InChIKey is CTVZQXCXWYVSHA-RUZDIDTESA-N. The full InChI is InChI=1S/C26H30N2O4/c1-27-26(30)25(20-11-5-4-6-12-20)28(17-9-13-19-10-7-8-14-22(19)29)21-15-16-23(31-2)24(18-21)32-3/h4-8,10-12,14-16,18,25,29H,9,13,17H2,1-3H3,(H,27,30)/t25-/m1/s1.
What are the key properties of (2R)-2-[N-[3-(2-hydroxyphenyl)propyl]-3,4-dimethoxyanilino]-N-methyl-2-phenylacetamide?
(2R)-2-[N-[3-(2-hydroxyphenyl)propyl]-3,4-dimethoxyanilino]-N-methyl-2-phenylacetamide has a molecular weight of 434.54 g/mol, XLogP of 4.34, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[N-[3-(2-hydroxyphenyl)propyl]-3,4-dimethoxyanilino]-N-methyl-2-phenylacetamide is sourced from PubChem (CID 69042296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).