methyl 3-[[(1R)-1-(3,4-dimethoxyphenyl)ethyl]carbamoylamino]-4-methoxybenzoate

C20H24N2O6 — CID 97452026

IUPACmethyl 3-[[(1R)-1-(3,4-dimethoxyphenyl)ethyl]carbamoylamino]-4-methoxybenzoate
SMILESCOC(=O)c1ccc(OC)c(NC(=O)N[C@H](C)c2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C20H24N2O6/c1-12(13-6-9-17(26-3)18(11-13)27-4)21-20(24)22-15-10-14(19(23)28-5)7-8-16(15)25-2/h6-12H,1-5H3,(H2,21,22,24)/t12-/m1/s1
InChIKeyPFDFLBZEQAXTRF-GFCCVEGCSA-N
MW388.42 g/mol
LogP3.38
Rot. Bonds7

About methyl 3-[[(1R)-1-(3,4-dimethoxyphenyl)ethyl]carbamoylamino]-4-methoxybenzoate

methyl 3-[[(1R)-1-(3,4-dimethoxyphenyl)ethyl]carbamoylamino]-4-methoxybenzoate (PubChem CID 97452026) has the molecular formula C20H24N2O6 and a molecular weight of 388.42 g/mol. Its IUPAC name is methyl 3-[[(1R)-1-(3,4-dimethoxyphenyl)ethyl]carbamoylamino]-4-methoxybenzoate.

Molecular Properties

Compound Namemethyl 3-[[(1R)-1-(3,4-dimethoxyphenyl)ethyl]carbamoylamino]-4-methoxybenzoate
PubChem CID97452026
Molecular FormulaC20H24N2O6
Molecular Weight388.42 g/mol
Exact Mass388.16
IUPAC Namemethyl 3-[[(1R)-1-(3,4-dimethoxyphenyl)ethyl]carbamoylamino]-4-methoxybenzoate
SMILESCOC(=O)c1ccc(OC)c(NC(=O)N[C@H](C)c2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C20H24N2O6/c1-12(13-6-9-17(26-3)18(11-13)27-4)21-20(24)22-15-10-14(19(23)28-5)7-8-16(15)25-2/h6-12H,1-5H3,(H2,21,22,24)/t12-/m1/s1
InChIKeyPFDFLBZEQAXTRF-GFCCVEGCSA-N
XLogP3.38
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 3-[[(1R)-1-(3,4-dimethoxyphenyl)ethyl]carbamoylamino]-4-methoxybenzoate with MolForge

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Related Compounds

N-[1-(3,4-dimethoxyphenyl)ethyl]-4-propan-2-ylbenzamide
CID 17329415
1-[1-(3,4-diethoxyphenyl)ethyl]-3-(2-methoxyphenyl)urea
CID 133204349
1-(5-chloro-2-methoxyphenyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
CID 108875482
4-tert-butyl-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 1344308
1-(2,5-dimethoxyphenyl)-3-[(1R)-1-phenylethyl]urea
CID 40636304
1-(2,5-dimethoxyphenyl)-3-[(1S)-1-phenylethyl]urea
CID 40636303
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-ethylbutanamide
CID 17329435
methyl 4-methyl-3-(propan-2-ylcarbamoylamino)benzoate
CID 47173546
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide
CID 43874097
1-(5-chloro-2-methoxyphenyl)-3-(1-phenylethyl)urea
CID 23931434
1-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-(2,5-dimethylpyrazol-3-yl)urea
CID 94129017
1-(2,5-dimethoxyphenyl)-3-[(1S)-1-pyridin-4-ylethyl]urea
CID 40635753

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(1R)-1-(3,4-dimethoxyphenyl)ethyl]carbamoylamino]-4-methoxybenzoate?
The IUPAC name of methyl 3-[[(1R)-1-(3,4-dimethoxyphenyl)ethyl]carbamoylamino]-4-methoxybenzoate (CID 97452026) is methyl 3-[[(1R)-1-(3,4-dimethoxyphenyl)ethyl]carbamoylamino]-4-methoxybenzoate.
What is the SMILES notation for methyl 3-[[(1R)-1-(3,4-dimethoxyphenyl)ethyl]carbamoylamino]-4-methoxybenzoate?
The canonical SMILES for methyl 3-[[(1R)-1-(3,4-dimethoxyphenyl)ethyl]carbamoylamino]-4-methoxybenzoate is COC(=O)c1ccc(OC)c(NC(=O)N[C@H](C)c2ccc(OC)c(OC)c2)c1.
What is the InChIKey of methyl 3-[[(1R)-1-(3,4-dimethoxyphenyl)ethyl]carbamoylamino]-4-methoxybenzoate?
The InChIKey is PFDFLBZEQAXTRF-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H24N2O6/c1-12(13-6-9-17(26-3)18(11-13)27-4)21-20(24)22-15-10-14(19(23)28-5)7-8-16(15)25-2/h6-12H,1-5H3,(H2,21,22,24)/t12-/m1/s1.
What are the key properties of methyl 3-[[(1R)-1-(3,4-dimethoxyphenyl)ethyl]carbamoylamino]-4-methoxybenzoate?
methyl 3-[[(1R)-1-(3,4-dimethoxyphenyl)ethyl]carbamoylamino]-4-methoxybenzoate has a molecular weight of 388.42 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(1R)-1-(3,4-dimethoxyphenyl)ethyl]carbamoylamino]-4-methoxybenzoate is sourced from PubChem (CID 97452026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).