N-heptyl-4-propan-2-yloxybenzamide

C17H27NO2 — CID 4951873

IUPACN-heptyl-4-propan-2-yloxybenzamide
SMILESCCCCCCCNC(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C17H27NO2/c1-4-5-6-7-8-13-18-17(19)15-9-11-16(12-10-15)20-14(2)3/h9-12,14H,4-8,13H2,1-3H3,(H,18,19)
InChIKeyHOVCUCMGFFLKKI-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.17
Rot. Bonds9

About N-heptyl-4-propan-2-yloxybenzamide

N-heptyl-4-propan-2-yloxybenzamide (PubChem CID 4951873) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-heptyl-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-heptyl-4-propan-2-yloxybenzamide
PubChem CID4951873
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-heptyl-4-propan-2-yloxybenzamide
SMILESCCCCCCCNC(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C17H27NO2/c1-4-5-6-7-8-13-18-17(19)15-9-11-16(12-10-15)20-14(2)3/h9-12,14H,4-8,13H2,1-3H3,(H,18,19)
InChIKeyHOVCUCMGFFLKKI-UHFFFAOYSA-N
XLogP4.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.17
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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Frequently Asked Questions

What is the IUPAC name of N-heptyl-4-propan-2-yloxybenzamide?
The IUPAC name of N-heptyl-4-propan-2-yloxybenzamide (CID 4951873) is N-heptyl-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-heptyl-4-propan-2-yloxybenzamide?
The canonical SMILES for N-heptyl-4-propan-2-yloxybenzamide is CCCCCCCNC(=O)c1ccc(OC(C)C)cc1.
What is the InChIKey of N-heptyl-4-propan-2-yloxybenzamide?
The InChIKey is HOVCUCMGFFLKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-4-5-6-7-8-13-18-17(19)15-9-11-16(12-10-15)20-14(2)3/h9-12,14H,4-8,13H2,1-3H3,(H,18,19).
What are the key properties of N-heptyl-4-propan-2-yloxybenzamide?
N-heptyl-4-propan-2-yloxybenzamide has a molecular weight of 277.41 g/mol, XLogP of 4.17, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptyl-4-propan-2-yloxybenzamide is sourced from PubChem (CID 4951873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).