2-ethyl-2-[[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]methyl]butanoic acid

C19H30N2O5 — CID 122129258

IUPAC2-ethyl-2-[[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]methyl]butanoic acid
SMILESCCNC(=O)COc1ccc(CNCC(CC)(CC)C(=O)O)cc1OC
InChIInChI=1S/C19H30N2O5/c1-5-19(6-2,18(23)24)13-20-11-14-8-9-15(16(10-14)25-4)26-12-17(22)21-7-3/h8-10,20H,5-7,11-13H2,1-4H3,(H,21,22)(H,23,24)
InChIKeyCKUWEPRYJUSFPM-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.19
Rot. Bonds12

About 2-ethyl-2-[[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]methyl]butanoic acid

2-ethyl-2-[[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]methyl]butanoic acid (PubChem CID 122129258) has the molecular formula C19H30N2O5 and a molecular weight of 366.46 g/mol. Its IUPAC name is 2-ethyl-2-[[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]methyl]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]methyl]butanoic acid
PubChem CID122129258
Molecular FormulaC19H30N2O5
Molecular Weight366.46 g/mol
Exact Mass366.22
IUPAC Name2-ethyl-2-[[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]methyl]butanoic acid
SMILESCCNC(=O)COc1ccc(CNCC(CC)(CC)C(=O)O)cc1OC
InChIInChI=1S/C19H30N2O5/c1-5-19(6-2,18(23)24)13-20-11-14-8-9-15(16(10-14)25-4)26-12-17(22)21-7-3/h8-10,20H,5-7,11-13H2,1-4H3,(H,21,22)(H,23,24)
InChIKeyCKUWEPRYJUSFPM-UHFFFAOYSA-N
XLogP2.19
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-2-[[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]methyl]butanoic acid with MolForge

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Related Compounds

2-[[(3-ethoxy-4-methoxyphenyl)methylamino]methyl]-2-ethylbutanoic acid
CID 122129327
2-[4-[[[(2R)-butan-2-yl]amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide
CID 94458976
2-[[(4-ethoxy-3,5-dimethoxyphenyl)methylamino]methyl]-2-ethylbutanoic acid
CID 122129022
2-[(4-ethoxy-3-methoxyphenyl)methylamino]-N-ethylacetamide
CID 43398915
N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 55745756
N-ethyl-2-[4-[[2-(3-fluorophenyl)ethylamino]methyl]-2-methoxyphenoxy]acetamide
CID 119109393
N-ethyl-2-[2-methoxy-4-[[[(2R)-pentan-2-yl]amino]methyl]phenoxy]acetamide
CID 95901020
N-ethyl-2-[2-methoxy-4-[[(N'-methylcarbamimidoyl)amino]methyl]phenoxy]acetamide;hydroiodide
CID 110915872
N-ethyl-2-[4-[[[(2S)-1-hydroxybutan-2-yl]amino]methyl]-2-methoxyphenoxy]acetamide
CID 94870303
2-[4-[[(1-tert-butyl-1,2,4-triazol-3-yl)amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide
CID 75478394
N-ethyl-2-[2-methoxy-4-[[(3-methylcyclohexyl)methylamino]methyl]phenoxy]acetamide
CID 47628113
N-ethyl-2-[2-methoxy-4-[[(2-methyl-1-phenylpropyl)amino]methyl]phenoxy]acetamide
CID 86908275

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]methyl]butanoic acid?
The IUPAC name of 2-ethyl-2-[[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]methyl]butanoic acid (CID 122129258) is 2-ethyl-2-[[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]methyl]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]methyl]butanoic acid?
The canonical SMILES for 2-ethyl-2-[[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]methyl]butanoic acid is CCNC(=O)COc1ccc(CNCC(CC)(CC)C(=O)O)cc1OC.
What is the InChIKey of 2-ethyl-2-[[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]methyl]butanoic acid?
The InChIKey is CKUWEPRYJUSFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O5/c1-5-19(6-2,18(23)24)13-20-11-14-8-9-15(16(10-14)25-4)26-12-17(22)21-7-3/h8-10,20H,5-7,11-13H2,1-4H3,(H,21,22)(H,23,24).
What are the key properties of 2-ethyl-2-[[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]methyl]butanoic acid?
2-ethyl-2-[[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]methyl]butanoic acid has a molecular weight of 366.46 g/mol, XLogP of 2.19, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]methyl]butanoic acid is sourced from PubChem (CID 122129258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).