N-(6-aminohexyl)-2-dodecoxybenzamide

C25H44N2O2 — CID 10319064

IUPACN-(6-aminohexyl)-2-dodecoxybenzamide
SMILESCCCCCCCCCCCCOc1ccccc1C(=O)NCCCCCCN
InChIInChI=1S/C25H44N2O2/c1-2-3-4-5-6-7-8-9-12-17-22-29-24-19-14-13-18-23(24)25(28)27-21-16-11-10-15-20-26/h13-14,18-19H,2-12,15-17,20-22,26H2,1H3,(H,27,28)
InChIKeyICFDJOWDAMLIMA-UHFFFAOYSA-N
MW404.64 g/mol
LogP6.24
Rot. Bonds19

About N-(6-aminohexyl)-2-dodecoxybenzamide

N-(6-aminohexyl)-2-dodecoxybenzamide (PubChem CID 10319064) has the molecular formula C25H44N2O2 and a molecular weight of 404.64 g/mol. Its IUPAC name is N-(6-aminohexyl)-2-dodecoxybenzamide.

Molecular Properties

Compound NameN-(6-aminohexyl)-2-dodecoxybenzamide
PubChem CID10319064
Molecular FormulaC25H44N2O2
Molecular Weight404.64 g/mol
Exact Mass404.34
IUPAC NameN-(6-aminohexyl)-2-dodecoxybenzamide
SMILESCCCCCCCCCCCCOc1ccccc1C(=O)NCCCCCCN
InChIInChI=1S/C25H44N2O2/c1-2-3-4-5-6-7-8-9-12-17-22-29-24-19-14-13-18-23(24)25(28)27-21-16-11-10-15-20-26/h13-14,18-19H,2-12,15-17,20-22,26H2,1H3,(H,27,28)
InChIKeyICFDJOWDAMLIMA-UHFFFAOYSA-N
XLogP6.24
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.64
LogP ≤ 56.24
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-(2-aminoethyl)-2-hexoxybenzamide
CID 90319052
2-butoxy-N-[8-[(2-butoxybenzoyl)amino]octyl]benzamide
CID 17233378
N-(4-aminobutyl)-2-hexoxybenzamide;2-hexoxy-N-[4-(quinolin-4-ylamino)butyl]benzamide
CID 90319067
2-methoxy-N-tridecylbenzamide
CID 139819873
2-pentoxybenzohydrazide
CID 54793215
N-hydroxy-2-tetradecoxybenzamide
CID 18962633
N-(3-aminopropyl)-2-(2-ethoxyphenoxy)benzamide;hydrochloride
CID 119407971
2-propoxy-N-propylbenzamide
CID 58831728
2-amino-N-dodecylbenzamide
CID 54099396
2-decoxy-1-N,4-N-dioctadecylbenzene-1,4-dicarboxamide
CID 101292937
1-N,4-N-di(octacosyl)-2-tetradecoxybenzene-1,4-dicarboxamide
CID 101293047
2-heptadecoxy-1-N,4-N-di(pentacosyl)benzene-1,4-dicarboxamide
CID 101293119

Frequently Asked Questions

What is the IUPAC name of N-(6-aminohexyl)-2-dodecoxybenzamide?
The IUPAC name of N-(6-aminohexyl)-2-dodecoxybenzamide (CID 10319064) is N-(6-aminohexyl)-2-dodecoxybenzamide.
What is the SMILES notation for N-(6-aminohexyl)-2-dodecoxybenzamide?
The canonical SMILES for N-(6-aminohexyl)-2-dodecoxybenzamide is CCCCCCCCCCCCOc1ccccc1C(=O)NCCCCCCN.
What is the InChIKey of N-(6-aminohexyl)-2-dodecoxybenzamide?
The InChIKey is ICFDJOWDAMLIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H44N2O2/c1-2-3-4-5-6-7-8-9-12-17-22-29-24-19-14-13-18-23(24)25(28)27-21-16-11-10-15-20-26/h13-14,18-19H,2-12,15-17,20-22,26H2,1H3,(H,27,28).
What are the key properties of N-(6-aminohexyl)-2-dodecoxybenzamide?
N-(6-aminohexyl)-2-dodecoxybenzamide has a molecular weight of 404.64 g/mol, XLogP of 6.24, 19 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-aminohexyl)-2-dodecoxybenzamide is sourced from PubChem (CID 10319064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).