N-methoxy-4-(2-methoxyethoxymethyl)-N-methylbenzamide

C13H19NO4 — CID 22015586

IUPACN-methoxy-4-(2-methoxyethoxymethyl)-N-methylbenzamide
SMILESCOCCOCc1ccc(C(=O)N(C)OC)cc1
InChIInChI=1S/C13H19NO4/c1-14(17-3)13(15)12-6-4-11(5-7-12)10-18-9-8-16-2/h4-7H,8-10H2,1-3H3
InChIKeyMFDUBANTKQQBFU-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.48
Rot. Bonds7

About N-methoxy-4-(2-methoxyethoxymethyl)-N-methylbenzamide

N-methoxy-4-(2-methoxyethoxymethyl)-N-methylbenzamide (PubChem CID 22015586) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-methoxy-4-(2-methoxyethoxymethyl)-N-methylbenzamide.

Molecular Properties

Compound NameN-methoxy-4-(2-methoxyethoxymethyl)-N-methylbenzamide
PubChem CID22015586
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC NameN-methoxy-4-(2-methoxyethoxymethyl)-N-methylbenzamide
SMILESCOCCOCc1ccc(C(=O)N(C)OC)cc1
InChIInChI=1S/C13H19NO4/c1-14(17-3)13(15)12-6-4-11(5-7-12)10-18-9-8-16-2/h4-7H,8-10H2,1-3H3
InChIKeyMFDUBANTKQQBFU-UHFFFAOYSA-N
XLogP1.48
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-4-(2-methoxyethoxymethyl)-N-methylbenzamide?
The IUPAC name of N-methoxy-4-(2-methoxyethoxymethyl)-N-methylbenzamide (CID 22015586) is N-methoxy-4-(2-methoxyethoxymethyl)-N-methylbenzamide.
What is the SMILES notation for N-methoxy-4-(2-methoxyethoxymethyl)-N-methylbenzamide?
The canonical SMILES for N-methoxy-4-(2-methoxyethoxymethyl)-N-methylbenzamide is COCCOCc1ccc(C(=O)N(C)OC)cc1.
What is the InChIKey of N-methoxy-4-(2-methoxyethoxymethyl)-N-methylbenzamide?
The InChIKey is MFDUBANTKQQBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-14(17-3)13(15)12-6-4-11(5-7-12)10-18-9-8-16-2/h4-7H,8-10H2,1-3H3.
What are the key properties of N-methoxy-4-(2-methoxyethoxymethyl)-N-methylbenzamide?
N-methoxy-4-(2-methoxyethoxymethyl)-N-methylbenzamide has a molecular weight of 253.30 g/mol, XLogP of 1.48, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-4-(2-methoxyethoxymethyl)-N-methylbenzamide is sourced from PubChem (CID 22015586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).