N-(2-methoxyethoxy)-4-propan-2-yloxybenzamide

C13H19NO4 — CID 79676602

IUPACN-(2-methoxyethoxy)-4-propan-2-yloxybenzamide
SMILESCOCCONC(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C13H19NO4/c1-10(2)18-12-6-4-11(5-7-12)13(15)14-17-9-8-16-3/h4-7,10H,8-9H2,1-3H3,(H,14,15)
InChIKeyDTENQFNESHJVSN-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.78
Rot. Bonds7

About N-(2-methoxyethoxy)-4-propan-2-yloxybenzamide

N-(2-methoxyethoxy)-4-propan-2-yloxybenzamide (PubChem CID 79676602) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-(2-methoxyethoxy)-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(2-methoxyethoxy)-4-propan-2-yloxybenzamide
PubChem CID79676602
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC NameN-(2-methoxyethoxy)-4-propan-2-yloxybenzamide
SMILESCOCCONC(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C13H19NO4/c1-10(2)18-12-6-4-11(5-7-12)13(15)14-17-9-8-16-3/h4-7,10H,8-9H2,1-3H3,(H,14,15)
InChIKeyDTENQFNESHJVSN-UHFFFAOYSA-N
XLogP1.78
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.78
H-Bond Donors ≤ 51
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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Related Compounds

4-propan-2-yloxy-N-[2-[(4-propan-2-yloxybenzoyl)amino]ethyl]benzamide
CID 4952415
4-bromo-N-(2-methoxyethoxy)benzamide
CID 79676789
5-methoxy-1-(4-propan-2-yloxyphenyl)pentane-1,3-dione
CID 43321414
N-(2-aminoethyl)-4-propan-2-yloxybenzamide
CID 82335676
N-(2-methoxyethoxy)-2-(4-methoxyphenoxy)propanamide
CID 79676608
N-[2-(2-aminoethoxy)ethyl]-4-propan-2-yloxybenzamide
CID 82354283
[2-(2-methoxyethylamino)-2-oxoethyl] 4-propan-2-yloxybenzoate
CID 2603418
4-(methylamino)-N-(4-propan-2-yloxyphenyl)benzamide
CID 62166478
N-[(2S)-butan-2-yl]-4-propan-2-yloxybenzamide
CID 40772005
4-amino-N-(4-propan-2-yloxyphenyl)benzamide
CID 28722589
(2S)-2-(4-chlorophenoxy)-N-(2-methoxyethoxy)propanamide
CID 164935442
4-methoxy-N-(2-phenoxyethoxy)benzamide
CID 110294662

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethoxy)-4-propan-2-yloxybenzamide?
The IUPAC name of N-(2-methoxyethoxy)-4-propan-2-yloxybenzamide (CID 79676602) is N-(2-methoxyethoxy)-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-(2-methoxyethoxy)-4-propan-2-yloxybenzamide?
The canonical SMILES for N-(2-methoxyethoxy)-4-propan-2-yloxybenzamide is COCCONC(=O)c1ccc(OC(C)C)cc1.
What is the InChIKey of N-(2-methoxyethoxy)-4-propan-2-yloxybenzamide?
The InChIKey is DTENQFNESHJVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-10(2)18-12-6-4-11(5-7-12)13(15)14-17-9-8-16-3/h4-7,10H,8-9H2,1-3H3,(H,14,15).
What are the key properties of N-(2-methoxyethoxy)-4-propan-2-yloxybenzamide?
N-(2-methoxyethoxy)-4-propan-2-yloxybenzamide has a molecular weight of 253.30 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethoxy)-4-propan-2-yloxybenzamide is sourced from PubChem (CID 79676602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).