ethyl-[2-(ethylamino)-2-oxoethyl]-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]azanium

C15H23N4O5+ — CID 9433030

IUPACethyl-[2-(ethylamino)-2-oxoethyl]-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]azanium
SMILESCCNC(=O)C[NH+](CC)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC
InChIInChI=1S/C15H22N4O5/c1-4-16-14(20)9-18(5-2)10-15(21)17-12-7-6-11(19(22)23)8-13(12)24-3/h6-8H,4-5,9-10H2,1-3H3,(H,16,20)(H,17,21)/p+1
InChIKeyOLSHFNMNPQLKDE-UHFFFAOYSA-O
MW339.37 g/mol
LogP-0.42
Rot. Bonds9

About ethyl-[2-(ethylamino)-2-oxoethyl]-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]azanium

ethyl-[2-(ethylamino)-2-oxoethyl]-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]azanium (PubChem CID 9433030) has the molecular formula C15H23N4O5+ and a molecular weight of 339.37 g/mol. Its IUPAC name is ethyl-[2-(ethylamino)-2-oxoethyl]-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]azanium.

Molecular Properties

Compound Nameethyl-[2-(ethylamino)-2-oxoethyl]-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]azanium
PubChem CID9433030
Molecular FormulaC15H23N4O5+
Molecular Weight339.37 g/mol
Exact Mass339.17
IUPAC Nameethyl-[2-(ethylamino)-2-oxoethyl]-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]azanium
SMILESCCNC(=O)C[NH+](CC)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC
InChIInChI=1S/C15H22N4O5/c1-4-16-14(20)9-18(5-2)10-15(21)17-12-7-6-11(19(22)23)8-13(12)24-3/h6-8H,4-5,9-10H2,1-3H3,(H,16,20)(H,17,21)/p+1
InChIKeyOLSHFNMNPQLKDE-UHFFFAOYSA-O
XLogP-0.42
TPSA115.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-3-(2-methoxy-4-nitrophenyl)urea
CID 108890439
2-(ethylamino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 60641116
(4-ethylphenyl)methyl-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]-methylazanium
CID 8908159
methyl 4-(2-methoxy-4-nitroanilino)-4-oxobutanoate
CID 54781631
[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]-[(4-methoxyphenyl)methyl]-methylazanium
CID 8778305
N-(2-methoxy-4-nitrophenyl)octadecanamide
CID 108745127
3-ethoxy-N-(2-methoxy-4-nitrophenyl)propanamide
CID 2975776
N-(2-methoxy-4-nitrophenyl)undecanamide
CID 4164516
(4-ethoxy-3-methoxyphenyl)methyl-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]-methylazanium
CID 8798670
(3,4-dichlorophenyl)methyl-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]-methylazanium
CID 9251612
(2,3-dimethoxyphenyl)methyl-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]-methylazanium
CID 9196682
N-(2-methoxy-4-nitrophenyl)-2-(2-methoxyphenoxy)acetamide
CID 7720081

Frequently Asked Questions

What is the IUPAC name of ethyl-[2-(ethylamino)-2-oxoethyl]-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]azanium?
The IUPAC name of ethyl-[2-(ethylamino)-2-oxoethyl]-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]azanium (CID 9433030) is ethyl-[2-(ethylamino)-2-oxoethyl]-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]azanium.
What is the SMILES notation for ethyl-[2-(ethylamino)-2-oxoethyl]-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]azanium?
The canonical SMILES for ethyl-[2-(ethylamino)-2-oxoethyl]-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]azanium is CCNC(=O)C[NH+](CC)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC.
What is the InChIKey of ethyl-[2-(ethylamino)-2-oxoethyl]-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]azanium?
The InChIKey is OLSHFNMNPQLKDE-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H22N4O5/c1-4-16-14(20)9-18(5-2)10-15(21)17-12-7-6-11(19(22)23)8-13(12)24-3/h6-8H,4-5,9-10H2,1-3H3,(H,16,20)(H,17,21)/p+1.
What are the key properties of ethyl-[2-(ethylamino)-2-oxoethyl]-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]azanium?
ethyl-[2-(ethylamino)-2-oxoethyl]-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]azanium has a molecular weight of 339.37 g/mol, XLogP of -0.42, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[2-(ethylamino)-2-oxoethyl]-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]azanium is sourced from PubChem (CID 9433030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).