ethyl-[2-(ethylamino)-2-oxoethyl]-[(4-methoxycarbonylphenyl)methyl]azanium

C15H23N2O3+ — CID 8682443

IUPACethyl-[2-(ethylamino)-2-oxoethyl]-[(4-methoxycarbonylphenyl)methyl]azanium
SMILESCCNC(=O)C[NH+](CC)Cc1ccc(C(=O)OC)cc1
InChIInChI=1S/C15H22N2O3/c1-4-16-14(18)11-17(5-2)10-12-6-8-13(9-7-12)15(19)20-3/h6-9H,4-5,10-11H2,1-3H3,(H,16,18)/p+1
InChIKeyAHXNWMGDFJPALL-UHFFFAOYSA-O
MW279.36 g/mol
LogP0.01
Rot. Bonds7

About ethyl-[2-(ethylamino)-2-oxoethyl]-[(4-methoxycarbonylphenyl)methyl]azanium

ethyl-[2-(ethylamino)-2-oxoethyl]-[(4-methoxycarbonylphenyl)methyl]azanium (PubChem CID 8682443) has the molecular formula C15H23N2O3+ and a molecular weight of 279.36 g/mol. Its IUPAC name is ethyl-[2-(ethylamino)-2-oxoethyl]-[(4-methoxycarbonylphenyl)methyl]azanium.

Molecular Properties

Compound Nameethyl-[2-(ethylamino)-2-oxoethyl]-[(4-methoxycarbonylphenyl)methyl]azanium
PubChem CID8682443
Molecular FormulaC15H23N2O3+
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Nameethyl-[2-(ethylamino)-2-oxoethyl]-[(4-methoxycarbonylphenyl)methyl]azanium
SMILESCCNC(=O)C[NH+](CC)Cc1ccc(C(=O)OC)cc1
InChIInChI=1S/C15H22N2O3/c1-4-16-14(18)11-17(5-2)10-12-6-8-13(9-7-12)15(19)20-3/h6-9H,4-5,10-11H2,1-3H3,(H,16,18)/p+1
InChIKeyAHXNWMGDFJPALL-UHFFFAOYSA-O
XLogP0.01
TPSA59.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]azanium
CID 9432990
benzyl-ethyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium
CID 8541461
methyl 4-[4-(4-propylphenyl)phenyl]benzoate
CID 142331537
diethyl-[[4-[[[4-(methoxymethyl)benzoyl]amino]methyl]phenyl]methyl]azanium
CID 8947985
cyclopropyl-[(4-fluorophenyl)methyl]-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]azanium
CID 8904931
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]-ethyl-[2-(ethylamino)-2-oxoethyl]azanium
CID 9433372
methyl 4-[3-(4-methoxycarbonylphenyl)propyl]benzoate
CID 4063050
ethanol;methyl 4-(chloromethyl)benzoate
CID 175390968
ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]azanium
CID 9349205
[2-(ethoxycarbonylamino)-2-oxoethyl]-ethyl-[(5-methoxycarbonylfuran-2-yl)methyl]azanium
CID 9038677
(4-ethoxyphenyl)methyl-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
CID 8799417
[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium
CID 8964210

Frequently Asked Questions

What is the IUPAC name of ethyl-[2-(ethylamino)-2-oxoethyl]-[(4-methoxycarbonylphenyl)methyl]azanium?
The IUPAC name of ethyl-[2-(ethylamino)-2-oxoethyl]-[(4-methoxycarbonylphenyl)methyl]azanium (CID 8682443) is ethyl-[2-(ethylamino)-2-oxoethyl]-[(4-methoxycarbonylphenyl)methyl]azanium.
What is the SMILES notation for ethyl-[2-(ethylamino)-2-oxoethyl]-[(4-methoxycarbonylphenyl)methyl]azanium?
The canonical SMILES for ethyl-[2-(ethylamino)-2-oxoethyl]-[(4-methoxycarbonylphenyl)methyl]azanium is CCNC(=O)C[NH+](CC)Cc1ccc(C(=O)OC)cc1.
What is the InChIKey of ethyl-[2-(ethylamino)-2-oxoethyl]-[(4-methoxycarbonylphenyl)methyl]azanium?
The InChIKey is AHXNWMGDFJPALL-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H22N2O3/c1-4-16-14(18)11-17(5-2)10-12-6-8-13(9-7-12)15(19)20-3/h6-9H,4-5,10-11H2,1-3H3,(H,16,18)/p+1.
What are the key properties of ethyl-[2-(ethylamino)-2-oxoethyl]-[(4-methoxycarbonylphenyl)methyl]azanium?
ethyl-[2-(ethylamino)-2-oxoethyl]-[(4-methoxycarbonylphenyl)methyl]azanium has a molecular weight of 279.36 g/mol, XLogP of 0.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[2-(ethylamino)-2-oxoethyl]-[(4-methoxycarbonylphenyl)methyl]azanium is sourced from PubChem (CID 8682443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).