3-amino-4-(cyclooctylamino)-N-ethylbenzamide

C17H27N3O — CID 71767078

IUPAC3-amino-4-(cyclooctylamino)-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(NC2CCCCCCC2)c(N)c1
InChIInChI=1S/C17H27N3O/c1-2-19-17(21)13-10-11-16(15(18)12-13)20-14-8-6-4-3-5-7-9-14/h10-12,14,20H,2-9,18H2,1H3,(H,19,21)
InChIKeySURHZKOLJXLQAU-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.54
Rot. Bonds4

About 3-amino-4-(cyclooctylamino)-N-ethylbenzamide

3-amino-4-(cyclooctylamino)-N-ethylbenzamide (PubChem CID 71767078) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-amino-4-(cyclooctylamino)-N-ethylbenzamide.

Molecular Properties

Compound Name3-amino-4-(cyclooctylamino)-N-ethylbenzamide
PubChem CID71767078
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name3-amino-4-(cyclooctylamino)-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(NC2CCCCCCC2)c(N)c1
InChIInChI=1S/C17H27N3O/c1-2-19-17(21)13-10-11-16(15(18)12-13)20-14-8-6-4-3-5-7-9-14/h10-12,14,20H,2-9,18H2,1H3,(H,19,21)
InChIKeySURHZKOLJXLQAU-UHFFFAOYSA-N
XLogP3.54
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(cyclooctylamino)-N-ethylbenzamide?
The IUPAC name of 3-amino-4-(cyclooctylamino)-N-ethylbenzamide (CID 71767078) is 3-amino-4-(cyclooctylamino)-N-ethylbenzamide.
What is the SMILES notation for 3-amino-4-(cyclooctylamino)-N-ethylbenzamide?
The canonical SMILES for 3-amino-4-(cyclooctylamino)-N-ethylbenzamide is CCNC(=O)c1ccc(NC2CCCCCCC2)c(N)c1.
What is the InChIKey of 3-amino-4-(cyclooctylamino)-N-ethylbenzamide?
The InChIKey is SURHZKOLJXLQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-2-19-17(21)13-10-11-16(15(18)12-13)20-14-8-6-4-3-5-7-9-14/h10-12,14,20H,2-9,18H2,1H3,(H,19,21).
What are the key properties of 3-amino-4-(cyclooctylamino)-N-ethylbenzamide?
3-amino-4-(cyclooctylamino)-N-ethylbenzamide has a molecular weight of 289.42 g/mol, XLogP of 3.54, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(cyclooctylamino)-N-ethylbenzamide is sourced from PubChem (CID 71767078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).