ethyl 3-[benzyl-[(2,4-dimethoxyphenyl)carbamoyl]amino]propanoate

C21H26N2O5 — CID 42697513

IUPACethyl 3-[benzyl-[(2,4-dimethoxyphenyl)carbamoyl]amino]propanoate
SMILESCCOC(=O)CCN(Cc1ccccc1)C(=O)Nc1ccc(OC)cc1OC
InChIInChI=1S/C21H26N2O5/c1-4-28-20(24)12-13-23(15-16-8-6-5-7-9-16)21(25)22-18-11-10-17(26-2)14-19(18)27-3/h5-11,14H,4,12-13,15H2,1-3H3,(H,22,25)
InChIKeyBBKZCYPYGXHCAX-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.69
Rot. Bonds9

About ethyl 3-[benzyl-[(2,4-dimethoxyphenyl)carbamoyl]amino]propanoate

ethyl 3-[benzyl-[(2,4-dimethoxyphenyl)carbamoyl]amino]propanoate (PubChem CID 42697513) has the molecular formula C21H26N2O5 and a molecular weight of 386.45 g/mol. Its IUPAC name is ethyl 3-[benzyl-[(2,4-dimethoxyphenyl)carbamoyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[benzyl-[(2,4-dimethoxyphenyl)carbamoyl]amino]propanoate
PubChem CID42697513
Molecular FormulaC21H26N2O5
Molecular Weight386.45 g/mol
Exact Mass386.18
IUPAC Nameethyl 3-[benzyl-[(2,4-dimethoxyphenyl)carbamoyl]amino]propanoate
SMILESCCOC(=O)CCN(Cc1ccccc1)C(=O)Nc1ccc(OC)cc1OC
InChIInChI=1S/C21H26N2O5/c1-4-28-20(24)12-13-23(15-16-8-6-5-7-9-16)21(25)22-18-11-10-17(26-2)14-19(18)27-3/h5-11,14H,4,12-13,15H2,1-3H3,(H,22,25)
InChIKeyBBKZCYPYGXHCAX-UHFFFAOYSA-N
XLogP3.69
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-1-(2-cyanoethyl)-3-(2,4-dimethoxyphenyl)urea
CID 3325887
3-[benzyl-[(2,4-dimethoxyphenyl)carbamoyl]amino]-N-(1-phenylethyl)propanamide
CID 42699861
N'-benzyl-N-(2,4-dimethoxyphenyl)-N'-ethylpropanediamide
CID 108947379
ethyl 3-[benzyl-[(4-bromo-2-fluorophenyl)carbamoyl]amino]propanoate
CID 4989631
ethyl 3-[4-[[(2,4-dimethoxyphenyl)carbamoyl-heptylamino]methyl]phenoxy]butanoate
CID 67686131
ethyl 3-[benzyl(naphthalen-2-ylcarbamoyl)amino]propanoate
CID 3845374
ethyl 3-[(2-methoxyphenyl)carbamoyl-propylamino]propanoate
CID 42697935
N-benzyl-3-(2,4-dimethoxyanilino)-N-ethylpropanamide
CID 109022967
3-[benzyl(ethyl)amino]-N-(2,4-dimethoxyphenyl)propanamide
CID 4284031
1-benzyl-3-(2-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]urea
CID 47053425
3-[benzyl(ethyl)amino]-N-(2,4-dimethoxyphenyl)propanamide;oxalic acid
CID 171154507
ethyl 3-(2,4-dimethoxyanilino)propanoate
CID 23052898

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[benzyl-[(2,4-dimethoxyphenyl)carbamoyl]amino]propanoate?
The IUPAC name of ethyl 3-[benzyl-[(2,4-dimethoxyphenyl)carbamoyl]amino]propanoate (CID 42697513) is ethyl 3-[benzyl-[(2,4-dimethoxyphenyl)carbamoyl]amino]propanoate.
What is the SMILES notation for ethyl 3-[benzyl-[(2,4-dimethoxyphenyl)carbamoyl]amino]propanoate?
The canonical SMILES for ethyl 3-[benzyl-[(2,4-dimethoxyphenyl)carbamoyl]amino]propanoate is CCOC(=O)CCN(Cc1ccccc1)C(=O)Nc1ccc(OC)cc1OC.
What is the InChIKey of ethyl 3-[benzyl-[(2,4-dimethoxyphenyl)carbamoyl]amino]propanoate?
The InChIKey is BBKZCYPYGXHCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5/c1-4-28-20(24)12-13-23(15-16-8-6-5-7-9-16)21(25)22-18-11-10-17(26-2)14-19(18)27-3/h5-11,14H,4,12-13,15H2,1-3H3,(H,22,25).
What are the key properties of ethyl 3-[benzyl-[(2,4-dimethoxyphenyl)carbamoyl]amino]propanoate?
ethyl 3-[benzyl-[(2,4-dimethoxyphenyl)carbamoyl]amino]propanoate has a molecular weight of 386.45 g/mol, XLogP of 3.69, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[benzyl-[(2,4-dimethoxyphenyl)carbamoyl]amino]propanoate is sourced from PubChem (CID 42697513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).