2-amino-N-tert-butyl-N-[(E)-oct-6-enyl]benzamide

C19H30N2O — CID 15894070

IUPAC2-amino-N-tert-butyl-N-[(E)-oct-6-enyl]benzamide
SMILESC/C=C/CCCCCN(C(=O)c1ccccc1N)C(C)(C)C
InChIInChI=1S/C19H30N2O/c1-5-6-7-8-9-12-15-21(19(2,3)4)18(22)16-13-10-11-14-17(16)20/h5-6,10-11,13-14H,7-9,12,15,20H2,1-4H3/b6-5+
InChIKeyADHIHXMWDQBQQO-AATRIKPKSA-N
MW302.46 g/mol
LogP4.65
Rot. Bonds7

About 2-amino-N-tert-butyl-N-[(E)-oct-6-enyl]benzamide

2-amino-N-tert-butyl-N-[(E)-oct-6-enyl]benzamide (PubChem CID 15894070) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is 2-amino-N-tert-butyl-N-[(E)-oct-6-enyl]benzamide.

Molecular Properties

Compound Name2-amino-N-tert-butyl-N-[(E)-oct-6-enyl]benzamide
PubChem CID15894070
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name2-amino-N-tert-butyl-N-[(E)-oct-6-enyl]benzamide
SMILESC/C=C/CCCCCN(C(=O)c1ccccc1N)C(C)(C)C
InChIInChI=1S/C19H30N2O/c1-5-6-7-8-9-12-15-21(19(2,3)4)18(22)16-13-10-11-14-17(16)20/h5-6,10-11,13-14H,7-9,12,15,20H2,1-4H3/b6-5+
InChIKeyADHIHXMWDQBQQO-AATRIKPKSA-N
XLogP4.65
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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2-amino-N-(2-cyclohexylethyl)-N-methylbenzamide
CID 119945212
2-amino-N,N-dipropylbenzamide;hydrochloride
CID 119943594
1-(2-aminophenyl)oct-7-en-1-one
CID 107008243
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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-tert-butyl-N-[(E)-oct-6-enyl]benzamide?
The IUPAC name of 2-amino-N-tert-butyl-N-[(E)-oct-6-enyl]benzamide (CID 15894070) is 2-amino-N-tert-butyl-N-[(E)-oct-6-enyl]benzamide.
What is the SMILES notation for 2-amino-N-tert-butyl-N-[(E)-oct-6-enyl]benzamide?
The canonical SMILES for 2-amino-N-tert-butyl-N-[(E)-oct-6-enyl]benzamide is C/C=C/CCCCCN(C(=O)c1ccccc1N)C(C)(C)C.
What is the InChIKey of 2-amino-N-tert-butyl-N-[(E)-oct-6-enyl]benzamide?
The InChIKey is ADHIHXMWDQBQQO-AATRIKPKSA-N. The full InChI is InChI=1S/C19H30N2O/c1-5-6-7-8-9-12-15-21(19(2,3)4)18(22)16-13-10-11-14-17(16)20/h5-6,10-11,13-14H,7-9,12,15,20H2,1-4H3/b6-5+.
What are the key properties of 2-amino-N-tert-butyl-N-[(E)-oct-6-enyl]benzamide?
2-amino-N-tert-butyl-N-[(E)-oct-6-enyl]benzamide has a molecular weight of 302.46 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-tert-butyl-N-[(E)-oct-6-enyl]benzamide is sourced from PubChem (CID 15894070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).