[(1R)-2-benzamido-1-(3,4-dimethoxyphenyl)ethyl] benzoate

C24H23NO5 — CID 138523236

IUPAC[(1R)-2-benzamido-1-(3,4-dimethoxyphenyl)ethyl] benzoate
SMILESCOc1ccc([C@H](CNC(=O)c2ccccc2)OC(=O)c2ccccc2)cc1OC
InChIInChI=1S/C24H23NO5/c1-28-20-14-13-19(15-21(20)29-2)22(30-24(27)18-11-7-4-8-12-18)16-25-23(26)17-9-5-3-6-10-17/h3-15,22H,16H2,1-2H3,(H,25,26)/t22-/m0/s1
InChIKeyDSZFMCMMQQTQQC-QFIPXVFZSA-N
MW405.45 g/mol
LogP4.03
Rot. Bonds8

About [(1R)-2-benzamido-1-(3,4-dimethoxyphenyl)ethyl] benzoate

[(1R)-2-benzamido-1-(3,4-dimethoxyphenyl)ethyl] benzoate (PubChem CID 138523236) has the molecular formula C24H23NO5 and a molecular weight of 405.45 g/mol. Its IUPAC name is [(1R)-2-benzamido-1-(3,4-dimethoxyphenyl)ethyl] benzoate.

Molecular Properties

Compound Name[(1R)-2-benzamido-1-(3,4-dimethoxyphenyl)ethyl] benzoate
PubChem CID138523236
Molecular FormulaC24H23NO5
Molecular Weight405.45 g/mol
Exact Mass405.16
IUPAC Name[(1R)-2-benzamido-1-(3,4-dimethoxyphenyl)ethyl] benzoate
SMILESCOc1ccc([C@H](CNC(=O)c2ccccc2)OC(=O)c2ccccc2)cc1OC
InChIInChI=1S/C24H23NO5/c1-28-20-14-13-19(15-21(20)29-2)22(30-24(27)18-11-7-4-8-12-18)16-25-23(26)17-9-5-3-6-10-17/h3-15,22H,16H2,1-2H3,(H,25,26)/t22-/m0/s1
InChIKeyDSZFMCMMQQTQQC-QFIPXVFZSA-N
XLogP4.03
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]benzamide
CID 7311220
[(1R)-1-(3,4-dimethoxyphenyl)-2-(3-phenylpropanoylamino)ethyl] 3-phenylpropanoate
CID 138523213
4-chloro-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]benzamide
CID 90613299
2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)-2-methoxyethyl]acetamide
CID 70589342
2,2-bis(3,4-dimethoxyphenyl)-1-phenylethanone
CID 71357609
[2-(butanoylamino)-1-(3,4-dimethoxyphenyl)ethyl] (E)-3-phenylprop-2-enoate
CID 155112234
3-cyano-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]benzamide
CID 90613283
4-(2-amino-2-oxoethoxy)-N-(2,2-diphenylethyl)-3-methoxybenzamide
CID 55415145
N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
CID 31308885
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-fluoro-4-methoxybenzamide
CID 99903135
3-amino-2-(3,4-dimethoxyphenyl)-1-phenylpropan-1-one
CID 174884025
3-methoxy-N-(2-phenylbutyl)-4-propan-2-yloxybenzamide
CID 45351975

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-benzamido-1-(3,4-dimethoxyphenyl)ethyl] benzoate?
The IUPAC name of [(1R)-2-benzamido-1-(3,4-dimethoxyphenyl)ethyl] benzoate (CID 138523236) is [(1R)-2-benzamido-1-(3,4-dimethoxyphenyl)ethyl] benzoate.
What is the SMILES notation for [(1R)-2-benzamido-1-(3,4-dimethoxyphenyl)ethyl] benzoate?
The canonical SMILES for [(1R)-2-benzamido-1-(3,4-dimethoxyphenyl)ethyl] benzoate is COc1ccc([C@H](CNC(=O)c2ccccc2)OC(=O)c2ccccc2)cc1OC.
What is the InChIKey of [(1R)-2-benzamido-1-(3,4-dimethoxyphenyl)ethyl] benzoate?
The InChIKey is DSZFMCMMQQTQQC-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H23NO5/c1-28-20-14-13-19(15-21(20)29-2)22(30-24(27)18-11-7-4-8-12-18)16-25-23(26)17-9-5-3-6-10-17/h3-15,22H,16H2,1-2H3,(H,25,26)/t22-/m0/s1.
What are the key properties of [(1R)-2-benzamido-1-(3,4-dimethoxyphenyl)ethyl] benzoate?
[(1R)-2-benzamido-1-(3,4-dimethoxyphenyl)ethyl] benzoate has a molecular weight of 405.45 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-benzamido-1-(3,4-dimethoxyphenyl)ethyl] benzoate is sourced from PubChem (CID 138523236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).