methyl 4-[[(1R)-1-(2,4-dimethoxyphenyl)ethyl]carbamoyl]benzoate

C19H21NO5 — CID 94045094

IUPACmethyl 4-[[(1R)-1-(2,4-dimethoxyphenyl)ethyl]carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)N[C@H](C)c2ccc(OC)cc2OC)cc1
InChIInChI=1S/C19H21NO5/c1-12(16-10-9-15(23-2)11-17(16)24-3)20-18(21)13-5-7-14(8-6-13)19(22)25-4/h5-12H,1-4H3,(H,20,21)/t12-/m1/s1
InChIKeyONZCQAOKOCZZJV-GFCCVEGCSA-N
MW343.38 g/mol
LogP2.98
Rot. Bonds6

About methyl 4-[[(1R)-1-(2,4-dimethoxyphenyl)ethyl]carbamoyl]benzoate

methyl 4-[[(1R)-1-(2,4-dimethoxyphenyl)ethyl]carbamoyl]benzoate (PubChem CID 94045094) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is methyl 4-[[(1R)-1-(2,4-dimethoxyphenyl)ethyl]carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[(1R)-1-(2,4-dimethoxyphenyl)ethyl]carbamoyl]benzoate
PubChem CID94045094
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Namemethyl 4-[[(1R)-1-(2,4-dimethoxyphenyl)ethyl]carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)N[C@H](C)c2ccc(OC)cc2OC)cc1
InChIInChI=1S/C19H21NO5/c1-12(16-10-9-15(23-2)11-17(16)24-3)20-18(21)13-5-7-14(8-6-13)19(22)25-4/h5-12H,1-4H3,(H,20,21)/t12-/m1/s1
InChIKeyONZCQAOKOCZZJV-GFCCVEGCSA-N
XLogP2.98
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[(1R)-1-(2,4-dimethoxyphenyl)ethyl]carbamoyl]benzoate with MolForge

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Related Compounds

N-[1-(2,4-dimethoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 60968183
6-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide
CID 134053626
4-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-sulfamoylbenzamide
CID 45054358
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 55579730
N-[1-(2,4-dimethoxyphenyl)ethyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 55580165
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-fluorobenzamide
CID 880770
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-(methoxymethyl)benzamide
CID 134053714
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-fluoro-4-methoxybenzamide
CID 22107778
N-[(1S)-1-(2-bromo-4,5-dimethoxyphenyl)ethyl]-4-methoxybenzamide
CID 1008408
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-methylbutanamide
CID 4163313
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3,4-dimethylbenzamide
CID 9477021
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide
CID 133160272

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(1R)-1-(2,4-dimethoxyphenyl)ethyl]carbamoyl]benzoate?
The IUPAC name of methyl 4-[[(1R)-1-(2,4-dimethoxyphenyl)ethyl]carbamoyl]benzoate (CID 94045094) is methyl 4-[[(1R)-1-(2,4-dimethoxyphenyl)ethyl]carbamoyl]benzoate.
What is the SMILES notation for methyl 4-[[(1R)-1-(2,4-dimethoxyphenyl)ethyl]carbamoyl]benzoate?
The canonical SMILES for methyl 4-[[(1R)-1-(2,4-dimethoxyphenyl)ethyl]carbamoyl]benzoate is COC(=O)c1ccc(C(=O)N[C@H](C)c2ccc(OC)cc2OC)cc1.
What is the InChIKey of methyl 4-[[(1R)-1-(2,4-dimethoxyphenyl)ethyl]carbamoyl]benzoate?
The InChIKey is ONZCQAOKOCZZJV-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H21NO5/c1-12(16-10-9-15(23-2)11-17(16)24-3)20-18(21)13-5-7-14(8-6-13)19(22)25-4/h5-12H,1-4H3,(H,20,21)/t12-/m1/s1.
What are the key properties of methyl 4-[[(1R)-1-(2,4-dimethoxyphenyl)ethyl]carbamoyl]benzoate?
methyl 4-[[(1R)-1-(2,4-dimethoxyphenyl)ethyl]carbamoyl]benzoate has a molecular weight of 343.38 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(1R)-1-(2,4-dimethoxyphenyl)ethyl]carbamoyl]benzoate is sourced from PubChem (CID 94045094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).