4-[2-(dimethylamino)ethoxy-methoxymethyl]benzamide

C13H20N2O3 — CID 90899993

IUPAC4-[2-(dimethylamino)ethoxy-methoxymethyl]benzamide
SMILESCOC(OCCN(C)C)c1ccc(C(N)=O)cc1
InChIInChI=1S/C13H20N2O3/c1-15(2)8-9-18-13(17-3)11-6-4-10(5-7-11)12(14)16/h4-7,13H,8-9H2,1-3H3,(H2,14,16)
InChIKeyYXAHSDZWNKXCGF-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.01
Rot. Bonds7

About 4-[2-(dimethylamino)ethoxy-methoxymethyl]benzamide

4-[2-(dimethylamino)ethoxy-methoxymethyl]benzamide (PubChem CID 90899993) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethoxy-methoxymethyl]benzamide.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethoxy-methoxymethyl]benzamide
PubChem CID90899993
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name4-[2-(dimethylamino)ethoxy-methoxymethyl]benzamide
SMILESCOC(OCCN(C)C)c1ccc(C(N)=O)cc1
InChIInChI=1S/C13H20N2O3/c1-15(2)8-9-18-13(17-3)11-6-4-10(5-7-11)12(14)16/h4-7,13H,8-9H2,1-3H3,(H2,14,16)
InChIKeyYXAHSDZWNKXCGF-UHFFFAOYSA-N
XLogP1.01
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(dimethylamino)ethyl 3,4-dimethoxybenzoate
CID 936334
4-(3-methylpentan-2-yl)benzamide
CID 126657369
3-[methoxy(methoxymethoxy)methyl]benzamide
CID 91348805
4-(1-hydroxyethyl)benzamide
CID 22716490
ethyl 2-[2-(dimethylamino)ethoxy]-2-phenylacetate
CID 171986152
[methoxy(2-methoxyethoxy)methyl]benzene
CID 139725330
4-(1-hydroxypropyl)benzamide
CID 118219631
2-(dimethylamino)ethyl 2-[bis(4-chlorophenyl)methoxy]acetate
CID 57141444
3-[4-carbamoyl-N-[2-(dimethylamino)ethyl]anilino]-2-methylpropanoic acid
CID 82319869
3-[2-(dimethylamino)ethoxy]-4-methoxybenzenecarbothioamide
CID 22685297
methyl 3-(4-carbamoylphenoxy)propanoate
CID 28879864
2-(dimethylamino)ethyl 2-chloro-2-phenylacetate
CID 101188921

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethoxy-methoxymethyl]benzamide?
The IUPAC name of 4-[2-(dimethylamino)ethoxy-methoxymethyl]benzamide (CID 90899993) is 4-[2-(dimethylamino)ethoxy-methoxymethyl]benzamide.
What is the SMILES notation for 4-[2-(dimethylamino)ethoxy-methoxymethyl]benzamide?
The canonical SMILES for 4-[2-(dimethylamino)ethoxy-methoxymethyl]benzamide is COC(OCCN(C)C)c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[2-(dimethylamino)ethoxy-methoxymethyl]benzamide?
The InChIKey is YXAHSDZWNKXCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-15(2)8-9-18-13(17-3)11-6-4-10(5-7-11)12(14)16/h4-7,13H,8-9H2,1-3H3,(H2,14,16).
What are the key properties of 4-[2-(dimethylamino)ethoxy-methoxymethyl]benzamide?
4-[2-(dimethylamino)ethoxy-methoxymethyl]benzamide has a molecular weight of 252.31 g/mol, XLogP of 1.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethoxy-methoxymethyl]benzamide is sourced from PubChem (CID 90899993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).