N-(2-aminoethyl)-2-hexoxybenzamide

C15H24N2O2 — CID 90319052

IUPACN-(2-aminoethyl)-2-hexoxybenzamide
SMILESCCCCCCOc1ccccc1C(=O)NCCN
InChIInChI=1S/C15H24N2O2/c1-2-3-4-7-12-19-14-9-6-5-8-13(14)15(18)17-11-10-16/h5-6,8-9H,2-4,7,10-12,16H2,1H3,(H,17,18)
InChIKeyTUIGTBKHJXPWKA-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.33
Rot. Bonds9

About N-(2-aminoethyl)-2-hexoxybenzamide

N-(2-aminoethyl)-2-hexoxybenzamide (PubChem CID 90319052) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-hexoxybenzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-hexoxybenzamide
PubChem CID90319052
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-(2-aminoethyl)-2-hexoxybenzamide
SMILESCCCCCCOc1ccccc1C(=O)NCCN
InChIInChI=1S/C15H24N2O2/c1-2-3-4-7-12-19-14-9-6-5-8-13(14)15(18)17-11-10-16/h5-6,8-9H,2-4,7,10-12,16H2,1H3,(H,17,18)
InChIKeyTUIGTBKHJXPWKA-UHFFFAOYSA-N
XLogP2.33
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(6-aminohexyl)-2-dodecoxybenzamide
CID 10319064
2-butoxy-N-[8-[(2-butoxybenzoyl)amino]octyl]benzamide
CID 17233378
2-pentoxybenzohydrazide
CID 54793215
N-hydroxy-2-tetradecoxybenzamide
CID 18962633
2-propoxy-N-propylbenzamide
CID 58831728
2-amino-1-(2-hexadecoxyphenyl)ethanone
CID 170860308
N-(4-aminobutyl)-2-hexoxybenzamide;2-hexoxy-N-[4-(quinolin-4-ylamino)butyl]benzamide
CID 90319067
2-methoxy-N-tridecylbenzamide
CID 139819873
dodecyl 2-dodecoxybenzoate
CID 57240468
hexyl 2-hexoxybenzoate
CID 86163108
N-[2-(3-aminopropyl)phenyl]-2-dodecoxybenzamide
CID 54404494
2-(2-amino-2-oxoethoxy)-N-butylbenzamide
CID 36711020

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-hexoxybenzamide?
The IUPAC name of N-(2-aminoethyl)-2-hexoxybenzamide (CID 90319052) is N-(2-aminoethyl)-2-hexoxybenzamide.
What is the SMILES notation for N-(2-aminoethyl)-2-hexoxybenzamide?
The canonical SMILES for N-(2-aminoethyl)-2-hexoxybenzamide is CCCCCCOc1ccccc1C(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-2-hexoxybenzamide?
The InChIKey is TUIGTBKHJXPWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-2-3-4-7-12-19-14-9-6-5-8-13(14)15(18)17-11-10-16/h5-6,8-9H,2-4,7,10-12,16H2,1H3,(H,17,18).
What are the key properties of N-(2-aminoethyl)-2-hexoxybenzamide?
N-(2-aminoethyl)-2-hexoxybenzamide has a molecular weight of 264.37 g/mol, XLogP of 2.33, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-hexoxybenzamide is sourced from PubChem (CID 90319052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).