[2-oxo-2-(pentan-3-ylamino)ethyl] 3-[(2-methoxybenzoyl)amino]propanoate

C18H26N2O5 — CID 7827573

IUPAC[2-oxo-2-(pentan-3-ylamino)ethyl] 3-[(2-methoxybenzoyl)amino]propanoate
SMILESCCC(CC)NC(=O)COC(=O)CCNC(=O)c1ccccc1OC
InChIInChI=1S/C18H26N2O5/c1-4-13(5-2)20-16(21)12-25-17(22)10-11-19-18(23)14-8-6-7-9-15(14)24-3/h6-9,13H,4-5,10-12H2,1-3H3,(H,19,23)(H,20,21)
InChIKeyMNRNIIMECVGSNJ-UHFFFAOYSA-N
MW350.42 g/mol
LogP1.66
Rot. Bonds10

About [2-oxo-2-(pentan-3-ylamino)ethyl] 3-[(2-methoxybenzoyl)amino]propanoate

[2-oxo-2-(pentan-3-ylamino)ethyl] 3-[(2-methoxybenzoyl)amino]propanoate (PubChem CID 7827573) has the molecular formula C18H26N2O5 and a molecular weight of 350.42 g/mol. Its IUPAC name is [2-oxo-2-(pentan-3-ylamino)ethyl] 3-[(2-methoxybenzoyl)amino]propanoate.

Molecular Properties

Compound Name[2-oxo-2-(pentan-3-ylamino)ethyl] 3-[(2-methoxybenzoyl)amino]propanoate
PubChem CID7827573
Molecular FormulaC18H26N2O5
Molecular Weight350.42 g/mol
Exact Mass350.18
IUPAC Name[2-oxo-2-(pentan-3-ylamino)ethyl] 3-[(2-methoxybenzoyl)amino]propanoate
SMILESCCC(CC)NC(=O)COC(=O)CCNC(=O)c1ccccc1OC
InChIInChI=1S/C18H26N2O5/c1-4-13(5-2)20-16(21)12-25-17(22)10-11-19-18(23)14-8-6-7-9-15(14)24-3/h6-9,13H,4-5,10-12H2,1-3H3,(H,19,23)(H,20,21)
InChIKeyMNRNIIMECVGSNJ-UHFFFAOYSA-N
XLogP1.66
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-(pentan-3-ylamino)ethyl] 3-[(2-methoxybenzoyl)amino]propanoate with MolForge

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Related Compounds

[2-[di(propan-2-yl)amino]-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate
CID 7827574
[2-oxo-2-(pentan-3-ylamino)ethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate
CID 46816277
[2-(4-tert-butylanilino)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate
CID 7827656
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 3-[(2-methoxybenzoyl)amino]propanoate
CID 7827702
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate
CID 7827506
[2-(naphthalen-2-ylamino)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate
CID 7827687
[2-(4-methoxyphenyl)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate
CID 7827628
[2-(3,4-difluorophenyl)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate
CID 7827565
ethyl 4-[(2-methoxybenzoyl)amino]butanoate
CID 60637531
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate
CID 7827716
[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate
CID 55365939
[2-(3-fluorophenyl)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate
CID 8676064

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(pentan-3-ylamino)ethyl] 3-[(2-methoxybenzoyl)amino]propanoate?
The IUPAC name of [2-oxo-2-(pentan-3-ylamino)ethyl] 3-[(2-methoxybenzoyl)amino]propanoate (CID 7827573) is [2-oxo-2-(pentan-3-ylamino)ethyl] 3-[(2-methoxybenzoyl)amino]propanoate.
What is the SMILES notation for [2-oxo-2-(pentan-3-ylamino)ethyl] 3-[(2-methoxybenzoyl)amino]propanoate?
The canonical SMILES for [2-oxo-2-(pentan-3-ylamino)ethyl] 3-[(2-methoxybenzoyl)amino]propanoate is CCC(CC)NC(=O)COC(=O)CCNC(=O)c1ccccc1OC.
What is the InChIKey of [2-oxo-2-(pentan-3-ylamino)ethyl] 3-[(2-methoxybenzoyl)amino]propanoate?
The InChIKey is MNRNIIMECVGSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5/c1-4-13(5-2)20-16(21)12-25-17(22)10-11-19-18(23)14-8-6-7-9-15(14)24-3/h6-9,13H,4-5,10-12H2,1-3H3,(H,19,23)(H,20,21).
What are the key properties of [2-oxo-2-(pentan-3-ylamino)ethyl] 3-[(2-methoxybenzoyl)amino]propanoate?
[2-oxo-2-(pentan-3-ylamino)ethyl] 3-[(2-methoxybenzoyl)amino]propanoate has a molecular weight of 350.42 g/mol, XLogP of 1.66, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(pentan-3-ylamino)ethyl] 3-[(2-methoxybenzoyl)amino]propanoate is sourced from PubChem (CID 7827573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).