4-heptoxy-N-methylbenzamide

C15H23NO2 — CID 3291691

IUPAC4-heptoxy-N-methylbenzamide
SMILESCCCCCCCOc1ccc(C(=O)NC)cc1
InChIInChI=1S/C15H23NO2/c1-3-4-5-6-7-12-18-14-10-8-13(9-11-14)15(17)16-2/h8-11H,3-7,12H2,1-2H3,(H,16,17)
InChIKeyAJQDPVXTIQDCKA-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.40
Rot. Bonds8

About 4-heptoxy-N-methylbenzamide

4-heptoxy-N-methylbenzamide (PubChem CID 3291691) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 4-heptoxy-N-methylbenzamide.

Molecular Properties

Compound Name4-heptoxy-N-methylbenzamide
PubChem CID3291691
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name4-heptoxy-N-methylbenzamide
SMILESCCCCCCCOc1ccc(C(=O)NC)cc1
InChIInChI=1S/C15H23NO2/c1-3-4-5-6-7-12-18-14-10-8-13(9-11-14)15(17)16-2/h8-11H,3-7,12H2,1-2H3,(H,16,17)
InChIKeyAJQDPVXTIQDCKA-UHFFFAOYSA-N
XLogP3.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-butoxybenzoyl)amino]-N-methylbenzamide
CID 9164625
4-pentoxybenzohydrazide
CID 2727702
4-dodecoxy-N-tridecanoylbenzamide
CID 14273876
4-(4-docosoxyphenyl)-N'-[4-(4-docosoxyphenyl)benzoyl]benzohydrazide
CID 102344080
4-butoxy-N-hexadecylbenzamide
CID 4936106
4-(3-bromopropoxy)-N-methylbenzamide
CID 82110408
4-hexoxy-N'-[4-(2-phenoxyethoxy)benzoyl]benzohydrazide
CID 4952932
4-hexoxy-N-[[(4-hexoxybenzoyl)amino]carbamothioyl]benzamide
CID 4934719
N-(ethylcarbamothioyl)-4-hexoxybenzamide
CID 4934176
N-methyl-4-[2-(methylamino)ethoxy]benzamide
CID 19915722
N'-heptanoyl-4-hexoxybenzohydrazide
CID 54789289
N'-[4-(2-ethoxyethoxy)benzoyl]-4-hexoxybenzohydrazide
CID 17112816

Frequently Asked Questions

What is the IUPAC name of 4-heptoxy-N-methylbenzamide?
The IUPAC name of 4-heptoxy-N-methylbenzamide (CID 3291691) is 4-heptoxy-N-methylbenzamide.
What is the SMILES notation for 4-heptoxy-N-methylbenzamide?
The canonical SMILES for 4-heptoxy-N-methylbenzamide is CCCCCCCOc1ccc(C(=O)NC)cc1.
What is the InChIKey of 4-heptoxy-N-methylbenzamide?
The InChIKey is AJQDPVXTIQDCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-4-5-6-7-12-18-14-10-8-13(9-11-14)15(17)16-2/h8-11H,3-7,12H2,1-2H3,(H,16,17).
What are the key properties of 4-heptoxy-N-methylbenzamide?
4-heptoxy-N-methylbenzamide has a molecular weight of 249.35 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-heptoxy-N-methylbenzamide is sourced from PubChem (CID 3291691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).