ethyl 3-[cyclopropyl-[3-(3,4-dimethoxyphenyl)propanoyl]amino]-2-methylpropanoate

C20H29NO5 — CID 84559233

IUPACethyl 3-[cyclopropyl-[3-(3,4-dimethoxyphenyl)propanoyl]amino]-2-methylpropanoate
SMILESCCOC(=O)C(C)CN(C(=O)CCc1ccc(OC)c(OC)c1)C1CC1
InChIInChI=1S/C20H29NO5/c1-5-26-20(23)14(2)13-21(16-8-9-16)19(22)11-7-15-6-10-17(24-3)18(12-15)25-4/h6,10,12,14,16H,5,7-9,11,13H2,1-4H3
InChIKeyVIOXPYQAOFDNRK-UHFFFAOYSA-N
MW363.45 g/mol
LogP2.83
Rot. Bonds10

About ethyl 3-[cyclopropyl-[3-(3,4-dimethoxyphenyl)propanoyl]amino]-2-methylpropanoate

ethyl 3-[cyclopropyl-[3-(3,4-dimethoxyphenyl)propanoyl]amino]-2-methylpropanoate (PubChem CID 84559233) has the molecular formula C20H29NO5 and a molecular weight of 363.45 g/mol. Its IUPAC name is ethyl 3-[cyclopropyl-[3-(3,4-dimethoxyphenyl)propanoyl]amino]-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 3-[cyclopropyl-[3-(3,4-dimethoxyphenyl)propanoyl]amino]-2-methylpropanoate
PubChem CID84559233
Molecular FormulaC20H29NO5
Molecular Weight363.45 g/mol
Exact Mass363.20
IUPAC Nameethyl 3-[cyclopropyl-[3-(3,4-dimethoxyphenyl)propanoyl]amino]-2-methylpropanoate
SMILESCCOC(=O)C(C)CN(C(=O)CCc1ccc(OC)c(OC)c1)C1CC1
InChIInChI=1S/C20H29NO5/c1-5-26-20(23)14(2)13-21(16-8-9-16)19(22)11-7-15-6-10-17(24-3)18(12-15)25-4/h6,10,12,14,16H,5,7-9,11,13H2,1-4H3
InChIKeyVIOXPYQAOFDNRK-UHFFFAOYSA-N
XLogP2.83
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-(4-ethylcyclohexyl)propanamide
CID 55594402
ethyl 3-[cyclopropyl-(2-methoxybenzoyl)amino]-2-methylpropanoate
CID 84559096
ethyl 3-[cyclopropyl-[4-(2,4-dichlorophenoxy)butanoyl]amino]-2-methylpropanoate
CID 84559248
2-[4-(2-aminoethyl)-2-methoxyphenoxy]-N-cyclopropyl-N-ethylacetamide
CID 61488503
N-cyclopentyl-N-ethyl-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 134060945
ethyl 3-[cyclopropyl-(4-methoxybenzoyl)amino]-2-methylpropanoate
CID 84559994
ethyl 3-[[4-(4-chlorophenyl)-4-oxobutanoyl]-cyclopropylamino]-2-methylpropanoate
CID 84558739
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-3-(3,4-dimethoxyphenyl)propanamide
CID 39738565
1-(3,4-dimethoxyphenyl)-4-methylpentan-3-one
CID 64503586
3-[cyclopropyl(3-phenylpropanoyl)amino]-2-methylpropanoic acid
CID 82325252
3-(3,4-dimethoxyphenyl)propanamide;hydrochloride
CID 70371168
2-[5-(aminomethyl)-2-methoxyphenoxy]-N-cyclopropyl-N-ethylacetamide
CID 61488291

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[cyclopropyl-[3-(3,4-dimethoxyphenyl)propanoyl]amino]-2-methylpropanoate?
The IUPAC name of ethyl 3-[cyclopropyl-[3-(3,4-dimethoxyphenyl)propanoyl]amino]-2-methylpropanoate (CID 84559233) is ethyl 3-[cyclopropyl-[3-(3,4-dimethoxyphenyl)propanoyl]amino]-2-methylpropanoate.
What is the SMILES notation for ethyl 3-[cyclopropyl-[3-(3,4-dimethoxyphenyl)propanoyl]amino]-2-methylpropanoate?
The canonical SMILES for ethyl 3-[cyclopropyl-[3-(3,4-dimethoxyphenyl)propanoyl]amino]-2-methylpropanoate is CCOC(=O)C(C)CN(C(=O)CCc1ccc(OC)c(OC)c1)C1CC1.
What is the InChIKey of ethyl 3-[cyclopropyl-[3-(3,4-dimethoxyphenyl)propanoyl]amino]-2-methylpropanoate?
The InChIKey is VIOXPYQAOFDNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO5/c1-5-26-20(23)14(2)13-21(16-8-9-16)19(22)11-7-15-6-10-17(24-3)18(12-15)25-4/h6,10,12,14,16H,5,7-9,11,13H2,1-4H3.
What are the key properties of ethyl 3-[cyclopropyl-[3-(3,4-dimethoxyphenyl)propanoyl]amino]-2-methylpropanoate?
ethyl 3-[cyclopropyl-[3-(3,4-dimethoxyphenyl)propanoyl]amino]-2-methylpropanoate has a molecular weight of 363.45 g/mol, XLogP of 2.83, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[cyclopropyl-[3-(3,4-dimethoxyphenyl)propanoyl]amino]-2-methylpropanoate is sourced from PubChem (CID 84559233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).