3-acetamido-N-(2-methoxyethyl)-N-(3-methoxypropyl)-4-methylbenzamide

C17H26N2O4 — CID 87031354

IUPAC3-acetamido-N-(2-methoxyethyl)-N-(3-methoxypropyl)-4-methylbenzamide
SMILESCOCCCN(CCOC)C(=O)c1ccc(C)c(NC(C)=O)c1
InChIInChI=1S/C17H26N2O4/c1-13-6-7-15(12-16(13)18-14(2)20)17(21)19(9-11-23-4)8-5-10-22-3/h6-7,12H,5,8-11H2,1-4H3,(H,18,20)
InChIKeyFJMRWDYWURIQNJ-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.08
Rot. Bonds9

About 3-acetamido-N-(2-methoxyethyl)-N-(3-methoxypropyl)-4-methylbenzamide

3-acetamido-N-(2-methoxyethyl)-N-(3-methoxypropyl)-4-methylbenzamide (PubChem CID 87031354) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is 3-acetamido-N-(2-methoxyethyl)-N-(3-methoxypropyl)-4-methylbenzamide.

Molecular Properties

Compound Name3-acetamido-N-(2-methoxyethyl)-N-(3-methoxypropyl)-4-methylbenzamide
PubChem CID87031354
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Name3-acetamido-N-(2-methoxyethyl)-N-(3-methoxypropyl)-4-methylbenzamide
SMILESCOCCCN(CCOC)C(=O)c1ccc(C)c(NC(C)=O)c1
InChIInChI=1S/C17H26N2O4/c1-13-6-7-15(12-16(13)18-14(2)20)17(21)19(9-11-23-4)8-5-10-22-3/h6-7,12H,5,8-11H2,1-4H3,(H,18,20)
InChIKeyFJMRWDYWURIQNJ-UHFFFAOYSA-N
XLogP2.08
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-N-(3-methoxypropyl)-4-methylbenzamide
CID 70804384
2-[[3-(methanesulfonamido)-4-methylbenzoyl]-(2-methoxyethyl)amino]acetic acid
CID 119189349
3-hydroxy-4-methoxy-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 79672066
N-(2-methoxyethyl)-N-(3-methoxypropyl)-4-sulfanylbenzamide
CID 107026123
3-hydroxy-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 54989912
3-bromo-4-methoxy-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 61025267
4-bromo-N,N-bis(2-methoxyethyl)-3-methylbenzamide
CID 112705653
N-(3-aminopropyl)-4-fluoro-N-(2-methoxyethyl)-3-methylbenzamide
CID 63287370
N-(2-methoxyethyl)-N-(3-methoxypropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998591
4-(chloromethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 60981287
N-(2-hydroxyethyl)-3-methoxy-N-(2-methoxyethyl)-4-methylbenzamide
CID 115772556
N-benzyl-3-(methanesulfonamido)-N-(2-methoxyethyl)-4-methylbenzamide
CID 38702132

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(2-methoxyethyl)-N-(3-methoxypropyl)-4-methylbenzamide?
The IUPAC name of 3-acetamido-N-(2-methoxyethyl)-N-(3-methoxypropyl)-4-methylbenzamide (CID 87031354) is 3-acetamido-N-(2-methoxyethyl)-N-(3-methoxypropyl)-4-methylbenzamide.
What is the SMILES notation for 3-acetamido-N-(2-methoxyethyl)-N-(3-methoxypropyl)-4-methylbenzamide?
The canonical SMILES for 3-acetamido-N-(2-methoxyethyl)-N-(3-methoxypropyl)-4-methylbenzamide is COCCCN(CCOC)C(=O)c1ccc(C)c(NC(C)=O)c1.
What is the InChIKey of 3-acetamido-N-(2-methoxyethyl)-N-(3-methoxypropyl)-4-methylbenzamide?
The InChIKey is FJMRWDYWURIQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-13-6-7-15(12-16(13)18-14(2)20)17(21)19(9-11-23-4)8-5-10-22-3/h6-7,12H,5,8-11H2,1-4H3,(H,18,20).
What are the key properties of 3-acetamido-N-(2-methoxyethyl)-N-(3-methoxypropyl)-4-methylbenzamide?
3-acetamido-N-(2-methoxyethyl)-N-(3-methoxypropyl)-4-methylbenzamide has a molecular weight of 322.41 g/mol, XLogP of 2.08, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(2-methoxyethyl)-N-(3-methoxypropyl)-4-methylbenzamide is sourced from PubChem (CID 87031354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).