N-(2-aminoethyl)-3-(2-methoxyethoxy)benzamide

C12H18N2O3 — CID 119381991

IUPACN-(2-aminoethyl)-3-(2-methoxyethoxy)benzamide
SMILESCOCCOc1cccc(C(=O)NCCN)c1
InChIInChI=1S/C12H18N2O3/c1-16-7-8-17-11-4-2-3-10(9-11)12(15)14-6-5-13/h2-4,9H,5-8,13H2,1H3,(H,14,15)
InChIKeyXNVJJTKHZHBIQC-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.40
Rot. Bonds7

About N-(2-aminoethyl)-3-(2-methoxyethoxy)benzamide

N-(2-aminoethyl)-3-(2-methoxyethoxy)benzamide (PubChem CID 119381991) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-(2-methoxyethoxy)benzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-(2-methoxyethoxy)benzamide
PubChem CID119381991
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC NameN-(2-aminoethyl)-3-(2-methoxyethoxy)benzamide
SMILESCOCCOc1cccc(C(=O)NCCN)c1
InChIInChI=1S/C12H18N2O3/c1-16-7-8-17-11-4-2-3-10(9-11)12(15)14-6-5-13/h2-4,9H,5-8,13H2,1H3,(H,14,15)
InChIKeyXNVJJTKHZHBIQC-UHFFFAOYSA-N
XLogP0.40
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[3-(2-methoxyethoxy)benzoyl]amino]propanoic acid
CID 119177030
N-[2-(ethylamino)ethyl]-3-(2-methoxyethoxy)benzamide
CID 119504539
N-(3-aminobutyl)-3-(2-methoxyethoxy)benzamide;hydrochloride
CID 119494749
N-[2-(4-aminophenyl)ethyl]-3-(2-methoxyethoxy)benzamide;hydrochloride
CID 119547417
3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
CID 4960567
3-(2-methoxyethoxy)-N-prop-2-ynylbenzamide
CID 60567441
3-[[3-(3-methoxypropoxy)benzoyl]amino]propanoic acid
CID 119177226
3-(3-methoxypropoxy)-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500932
1-N,3-N-bis(2-aminoethyl)benzene-1,3-dicarboxamide
CID 54754655
3-[2-(2,5-dichlorophenoxy)ethoxy]-N-(2-methoxyethyl)benzamide
CID 13387095
2-[3-(2-methoxyethylcarbamoyl)phenoxy]acetic acid
CID 28762787
3-propoxy-N-[3-[(3-propoxybenzoyl)amino]propyl]benzamide
CID 4960565

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-(2-methoxyethoxy)benzamide?
The IUPAC name of N-(2-aminoethyl)-3-(2-methoxyethoxy)benzamide (CID 119381991) is N-(2-aminoethyl)-3-(2-methoxyethoxy)benzamide.
What is the SMILES notation for N-(2-aminoethyl)-3-(2-methoxyethoxy)benzamide?
The canonical SMILES for N-(2-aminoethyl)-3-(2-methoxyethoxy)benzamide is COCCOc1cccc(C(=O)NCCN)c1.
What is the InChIKey of N-(2-aminoethyl)-3-(2-methoxyethoxy)benzamide?
The InChIKey is XNVJJTKHZHBIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-16-7-8-17-11-4-2-3-10(9-11)12(15)14-6-5-13/h2-4,9H,5-8,13H2,1H3,(H,14,15).
What are the key properties of N-(2-aminoethyl)-3-(2-methoxyethoxy)benzamide?
N-(2-aminoethyl)-3-(2-methoxyethoxy)benzamide has a molecular weight of 238.29 g/mol, XLogP of 0.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-(2-methoxyethoxy)benzamide is sourced from PubChem (CID 119381991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).