2-[(2R)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]oxy-N-(2-phenoxyethyl)benzamide

C28H32N2O6 — CID 42561404

IUPAC2-[(2R)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]oxy-N-(2-phenoxyethyl)benzamide
SMILESCOc1ccc(CCNC(=O)[C@@H](C)Oc2ccccc2C(=O)NCCOc2ccccc2)cc1OC
InChIInChI=1S/C28H32N2O6/c1-20(27(31)29-16-15-21-13-14-25(33-2)26(19-21)34-3)36-24-12-8-7-11-23(24)28(32)30-17-18-35-22-9-5-4-6-10-22/h4-14,19-20H,15-18H2,1-3H3,(H,29,31)(H,30,32)/t20-/m1/s1
InChIKeyAGVGLGBNYIHBFH-HXUWFJFHSA-N
MW492.57 g/mol
LogP3.64
Rot. Bonds13

About 2-[(2R)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]oxy-N-(2-phenoxyethyl)benzamide

2-[(2R)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]oxy-N-(2-phenoxyethyl)benzamide (PubChem CID 42561404) has the molecular formula C28H32N2O6 and a molecular weight of 492.57 g/mol. Its IUPAC name is 2-[(2R)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]oxy-N-(2-phenoxyethyl)benzamide.

Molecular Properties

Compound Name2-[(2R)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]oxy-N-(2-phenoxyethyl)benzamide
PubChem CID42561404
Molecular FormulaC28H32N2O6
Molecular Weight492.57 g/mol
Exact Mass492.23
IUPAC Name2-[(2R)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]oxy-N-(2-phenoxyethyl)benzamide
SMILESCOc1ccc(CCNC(=O)[C@@H](C)Oc2ccccc2C(=O)NCCOc2ccccc2)cc1OC
InChIInChI=1S/C28H32N2O6/c1-20(27(31)29-16-15-21-13-14-25(33-2)26(19-21)34-3)36-24-12-8-7-11-23(24)28(32)30-17-18-35-22-9-5-4-6-10-22/h4-14,19-20H,15-18H2,1-3H3,(H,29,31)(H,30,32)/t20-/m1/s1
InChIKeyAGVGLGBNYIHBFH-HXUWFJFHSA-N
XLogP3.64
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.57
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 92647143
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(3-methylphenoxy)propanoylamino]benzamide
CID 21367574
2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]benzoic acid
CID 785993
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(2S)-2-(2,3-dimethylphenoxy)propanoyl]amino]benzamide
CID 38007326
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenoxypropanamide
CID 10471777
(2S)-2-(3-chlorophenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 7026894
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(phenoxymethyl)benzamide
CID 26733446
2-methoxy-N-[(2S)-3-methyl-1-oxo-1-(2-phenoxyethylamino)butan-2-yl]benzamide
CID 33249575
2-(2-methoxyphenoxy)-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 133219180
2-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 110451906
N-[2-(3,4-dimethylphenoxy)ethyl]-2-(2-methoxyphenoxy)propanamide
CID 133211011
2-(2-ethylphenoxy)-N-(2-phenoxyethyl)propanamide
CID 133239770

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]oxy-N-(2-phenoxyethyl)benzamide?
The IUPAC name of 2-[(2R)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]oxy-N-(2-phenoxyethyl)benzamide (CID 42561404) is 2-[(2R)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]oxy-N-(2-phenoxyethyl)benzamide.
What is the SMILES notation for 2-[(2R)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]oxy-N-(2-phenoxyethyl)benzamide?
The canonical SMILES for 2-[(2R)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]oxy-N-(2-phenoxyethyl)benzamide is COc1ccc(CCNC(=O)[C@@H](C)Oc2ccccc2C(=O)NCCOc2ccccc2)cc1OC.
What is the InChIKey of 2-[(2R)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]oxy-N-(2-phenoxyethyl)benzamide?
The InChIKey is AGVGLGBNYIHBFH-HXUWFJFHSA-N. The full InChI is InChI=1S/C28H32N2O6/c1-20(27(31)29-16-15-21-13-14-25(33-2)26(19-21)34-3)36-24-12-8-7-11-23(24)28(32)30-17-18-35-22-9-5-4-6-10-22/h4-14,19-20H,15-18H2,1-3H3,(H,29,31)(H,30,32)/t20-/m1/s1.
What are the key properties of 2-[(2R)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]oxy-N-(2-phenoxyethyl)benzamide?
2-[(2R)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]oxy-N-(2-phenoxyethyl)benzamide has a molecular weight of 492.57 g/mol, XLogP of 3.64, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]oxy-N-(2-phenoxyethyl)benzamide is sourced from PubChem (CID 42561404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).