ethyl-[2-(ethylcarbamoylamino)-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]azanium

C15H23FN3O3+ — CID 9349287

IUPACethyl-[2-(ethylcarbamoylamino)-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]azanium
SMILESCCNC(=O)NC(=O)C[NH+](CC)Cc1ccc(OC)c(F)c1
InChIInChI=1S/C15H22FN3O3/c1-4-17-15(21)18-14(20)10-19(5-2)9-11-6-7-13(22-3)12(16)8-11/h6-8H,4-5,9-10H2,1-3H3,(H2,17,18,20,21)/p+1
InChIKeyNHQMEFBGRSUEGF-UHFFFAOYSA-O
MW312.37 g/mol
LogP0.08
Rot. Bonds7

About ethyl-[2-(ethylcarbamoylamino)-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]azanium

ethyl-[2-(ethylcarbamoylamino)-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]azanium (PubChem CID 9349287) has the molecular formula C15H23FN3O3+ and a molecular weight of 312.37 g/mol. Its IUPAC name is ethyl-[2-(ethylcarbamoylamino)-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]azanium.

Molecular Properties

Compound Nameethyl-[2-(ethylcarbamoylamino)-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]azanium
PubChem CID9349287
Molecular FormulaC15H23FN3O3+
Molecular Weight312.37 g/mol
Exact Mass312.17
IUPAC Nameethyl-[2-(ethylcarbamoylamino)-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]azanium
SMILESCCNC(=O)NC(=O)C[NH+](CC)Cc1ccc(OC)c(F)c1
InChIInChI=1S/C15H22FN3O3/c1-4-17-15(21)18-14(20)10-19(5-2)9-11-6-7-13(22-3)12(16)8-11/h6-8H,4-5,9-10H2,1-3H3,(H2,17,18,20,21)/p+1
InChIKeyNHQMEFBGRSUEGF-UHFFFAOYSA-O
XLogP0.08
TPSA71.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-ethyl-[(3-fluoro-4-methoxyphenyl)methyl]azanium
CID 9349301
ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]azanium
CID 9349205
ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 9349101
ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium
CID 9349147
ethyl-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]azanium
CID 9349411
[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-ethyl-[(3-fluoro-4-methoxyphenyl)methyl]azanium
CID 8912391
[2-(2,5-dimethylanilino)-2-oxoethyl]-ethyl-[(3-fluoro-4-methoxyphenyl)methyl]azanium
CID 9349145
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]-ethyl-[(3-fluoro-4-methoxyphenyl)methyl]azanium
CID 9349399
ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium
CID 9349183
[2-(2,3-dichloroanilino)-2-oxoethyl]-ethyl-[(3-fluoro-4-methoxyphenyl)methyl]azanium
CID 9349163
ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethyl]azanium
CID 8682973
ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]azanium
CID 8912321

Frequently Asked Questions

What is the IUPAC name of ethyl-[2-(ethylcarbamoylamino)-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]azanium?
The IUPAC name of ethyl-[2-(ethylcarbamoylamino)-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]azanium (CID 9349287) is ethyl-[2-(ethylcarbamoylamino)-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]azanium.
What is the SMILES notation for ethyl-[2-(ethylcarbamoylamino)-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]azanium?
The canonical SMILES for ethyl-[2-(ethylcarbamoylamino)-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]azanium is CCNC(=O)NC(=O)C[NH+](CC)Cc1ccc(OC)c(F)c1.
What is the InChIKey of ethyl-[2-(ethylcarbamoylamino)-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]azanium?
The InChIKey is NHQMEFBGRSUEGF-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H22FN3O3/c1-4-17-15(21)18-14(20)10-19(5-2)9-11-6-7-13(22-3)12(16)8-11/h6-8H,4-5,9-10H2,1-3H3,(H2,17,18,20,21)/p+1.
What are the key properties of ethyl-[2-(ethylcarbamoylamino)-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]azanium?
ethyl-[2-(ethylcarbamoylamino)-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]azanium has a molecular weight of 312.37 g/mol, XLogP of 0.08, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[2-(ethylcarbamoylamino)-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]azanium is sourced from PubChem (CID 9349287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).