diethyl-[2-[(4-methoxybenzoyl)amino]ethyl]-methylazanium iodide

C15H25IN2O2 — CID 71505918

IUPACdiethyl-[2-[(4-methoxybenzoyl)amino]ethyl]-methylazanium iodide
SMILESCC[N+](C)(CC)CCNC(=O)c1ccc(OC)cc1.[I-]
InChIInChI=1S/C15H24N2O2.HI/c1-5-17(3,6-2)12-11-16-15(18)13-7-9-14(19-4)10-8-13;/h7-10H,5-6,11-12H2,1-4H3;1H
InChIKeyKSNOWDMDXHAFMA-UHFFFAOYSA-N
MW392.28 g/mol
LogP-1.08
Rot. Bonds7

About diethyl-[2-[(4-methoxybenzoyl)amino]ethyl]-methylazanium iodide

diethyl-[2-[(4-methoxybenzoyl)amino]ethyl]-methylazanium iodide (PubChem CID 71505918) has the molecular formula C15H25IN2O2 and a molecular weight of 392.28 g/mol. Its IUPAC name is diethyl-[2-[(4-methoxybenzoyl)amino]ethyl]-methylazanium iodide.

Molecular Properties

Compound Namediethyl-[2-[(4-methoxybenzoyl)amino]ethyl]-methylazanium iodide
PubChem CID71505918
Molecular FormulaC15H25IN2O2
Molecular Weight392.28 g/mol
Exact Mass392.10
IUPAC Namediethyl-[2-[(4-methoxybenzoyl)amino]ethyl]-methylazanium iodide
SMILESCC[N+](C)(CC)CCNC(=O)c1ccc(OC)cc1.[I-]
InChIInChI=1S/C15H24N2O2.HI/c1-5-17(3,6-2)12-11-16-15(18)13-7-9-14(19-4)10-8-13;/h7-10H,5-6,11-12H2,1-4H3;1H
InChIKeyKSNOWDMDXHAFMA-UHFFFAOYSA-N
XLogP-1.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.28
LogP ≤ 5-1.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2-[(4-methoxybenzoyl)amino]ethyl-methyl-dioctylazanium iodide
CID 71506107
4-methoxy-N-pentylbenzamide
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N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methylbenzamide
CID 108537787
N-(2-acetamidoethyl)-4-methoxybenzamide
CID 30596623
4-methoxy-N-nonylbenzamide
CID 3557385
N-hexyl-4-methoxy(11C)benzamide
CID 177422178
2-[(4-methoxybenzoyl)amino]ethyl-dimethylazanium
CID 7458489
4-methoxy-N-(4-methoxybutyl)benzamide
CID 110417955
4-N-[2-(4-methoxyphenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide
CID 109042916
4-methoxy-N-[(E)-pent-3-enyl]benzamide
CID 115628167
4-methoxy-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]benzamide
CID 108537590
tert-butyl N-[2-[(4-methoxybenzoyl)amino]ethyl]carbamate
CID 71505026

Frequently Asked Questions

What is the IUPAC name of diethyl-[2-[(4-methoxybenzoyl)amino]ethyl]-methylazanium iodide?
The IUPAC name of diethyl-[2-[(4-methoxybenzoyl)amino]ethyl]-methylazanium iodide (CID 71505918) is diethyl-[2-[(4-methoxybenzoyl)amino]ethyl]-methylazanium iodide.
What is the SMILES notation for diethyl-[2-[(4-methoxybenzoyl)amino]ethyl]-methylazanium iodide?
The canonical SMILES for diethyl-[2-[(4-methoxybenzoyl)amino]ethyl]-methylazanium iodide is CC[N+](C)(CC)CCNC(=O)c1ccc(OC)cc1.[I-].
What is the InChIKey of diethyl-[2-[(4-methoxybenzoyl)amino]ethyl]-methylazanium iodide?
The InChIKey is KSNOWDMDXHAFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2.HI/c1-5-17(3,6-2)12-11-16-15(18)13-7-9-14(19-4)10-8-13;/h7-10H,5-6,11-12H2,1-4H3;1H.
What are the key properties of diethyl-[2-[(4-methoxybenzoyl)amino]ethyl]-methylazanium iodide?
diethyl-[2-[(4-methoxybenzoyl)amino]ethyl]-methylazanium iodide has a molecular weight of 392.28 g/mol, XLogP of -1.08, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[2-[(4-methoxybenzoyl)amino]ethyl]-methylazanium iodide is sourced from PubChem (CID 71505918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).