2-[(4-methoxybenzoyl)amino]ethyl-dimethylazanium

C12H19N2O2+ — CID 7458489

IUPAC2-[(4-methoxybenzoyl)amino]ethyl-dimethylazanium
SMILESCOc1ccc(C(=O)NCC[NH+](C)C)cc1
InChIInChI=1S/C12H18N2O2/c1-14(2)9-8-13-12(15)10-4-6-11(16-3)7-5-10/h4-7H,8-9H2,1-3H3,(H,13,15)/p+1
InChIKeyBLJNRPPDWGGTOL-UHFFFAOYSA-O
MW223.30 g/mol
LogP-0.43
Rot. Bonds5

About 2-[(4-methoxybenzoyl)amino]ethyl-dimethylazanium

2-[(4-methoxybenzoyl)amino]ethyl-dimethylazanium (PubChem CID 7458489) has the molecular formula C12H19N2O2+ and a molecular weight of 223.30 g/mol. Its IUPAC name is 2-[(4-methoxybenzoyl)amino]ethyl-dimethylazanium.

Molecular Properties

Compound Name2-[(4-methoxybenzoyl)amino]ethyl-dimethylazanium
PubChem CID7458489
Molecular FormulaC12H19N2O2+
Molecular Weight223.30 g/mol
Exact Mass223.14
IUPAC Name2-[(4-methoxybenzoyl)amino]ethyl-dimethylazanium
SMILESCOc1ccc(C(=O)NCC[NH+](C)C)cc1
InChIInChI=1S/C12H18N2O2/c1-14(2)9-8-13-12(15)10-4-6-11(16-3)7-5-10/h4-7H,8-9H2,1-3H3,(H,13,15)/p+1
InChIKeyBLJNRPPDWGGTOL-UHFFFAOYSA-O
XLogP-0.43
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[2-(dimethylazaniumyl)ethylcarbamoyl]phenoxy]acetate
CID 28762542
N-(2-acetamidoethyl)-4-methoxybenzamide
CID 30596623
N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methylbenzamide
CID 108537787
3-[[4-[3-(dimethylazaniumyl)propylcarbamoyl]benzoyl]amino]propyl-dimethylazanium
CID 2164611
4-methoxy-N-pentylbenzamide
CID 3113360
4-methoxy-N-(4-methoxybutyl)benzamide
CID 110417955
N-hexyl-4-methoxy(11C)benzamide
CID 177422178
4-methoxy-N-nonylbenzamide
CID 3557385
4-bromo-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 2292601
tert-butyl N-[2-[(4-methoxybenzoyl)amino]ethyl]carbamate
CID 71505026
methyl 3-[[4-(4-methoxyphenoxy)benzoyl]amino]propanoate
CID 46989444
4-methoxy-N-[(E)-pent-3-enyl]benzamide
CID 115628167

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxybenzoyl)amino]ethyl-dimethylazanium?
The IUPAC name of 2-[(4-methoxybenzoyl)amino]ethyl-dimethylazanium (CID 7458489) is 2-[(4-methoxybenzoyl)amino]ethyl-dimethylazanium.
What is the SMILES notation for 2-[(4-methoxybenzoyl)amino]ethyl-dimethylazanium?
The canonical SMILES for 2-[(4-methoxybenzoyl)amino]ethyl-dimethylazanium is COc1ccc(C(=O)NCC[NH+](C)C)cc1.
What is the InChIKey of 2-[(4-methoxybenzoyl)amino]ethyl-dimethylazanium?
The InChIKey is BLJNRPPDWGGTOL-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H18N2O2/c1-14(2)9-8-13-12(15)10-4-6-11(16-3)7-5-10/h4-7H,8-9H2,1-3H3,(H,13,15)/p+1.
What are the key properties of 2-[(4-methoxybenzoyl)amino]ethyl-dimethylazanium?
2-[(4-methoxybenzoyl)amino]ethyl-dimethylazanium has a molecular weight of 223.30 g/mol, XLogP of -0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxybenzoyl)amino]ethyl-dimethylazanium is sourced from PubChem (CID 7458489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).