N-(6-aminohexyl)-2-tert-butylbenzamide

C17H28N2O — CID 107843835

IUPACN-(6-aminohexyl)-2-tert-butylbenzamide
SMILESCC(C)(C)c1ccccc1C(=O)NCCCCCCN
InChIInChI=1S/C17H28N2O/c1-17(2,3)15-11-7-6-10-14(15)16(20)19-13-9-5-4-8-12-18/h6-7,10-11H,4-5,8-9,12-13,18H2,1-3H3,(H,19,20)
InChIKeyIEQFJSIYHVSILP-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.23
Rot. Bonds7

About N-(6-aminohexyl)-2-tert-butylbenzamide

N-(6-aminohexyl)-2-tert-butylbenzamide (PubChem CID 107843835) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-(6-aminohexyl)-2-tert-butylbenzamide.

Molecular Properties

Compound NameN-(6-aminohexyl)-2-tert-butylbenzamide
PubChem CID107843835
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-(6-aminohexyl)-2-tert-butylbenzamide
SMILESCC(C)(C)c1ccccc1C(=O)NCCCCCCN
InChIInChI=1S/C17H28N2O/c1-17(2,3)15-11-7-6-10-14(15)16(20)19-13-9-5-4-8-12-18/h6-7,10-11H,4-5,8-9,12-13,18H2,1-3H3,(H,19,20)
InChIKeyIEQFJSIYHVSILP-UHFFFAOYSA-N
XLogP3.23
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromopentyl)-2-tert-butylbenzamide
CID 107321897
N-(4-aminobutyl)-2-(trifluoromethyl)benzamide
CID 60894679
N-(4-bromobutyl)-2-tert-butylbenzamide
CID 106846012
1-N,2-N-bis(4-aminobutyl)benzene-1,2-dicarboxamide
CID 171064318
N-(10-aminodecyl)-2-hydroxybenzamide;hydrochloride
CID 10268368
N-(4-aminobutyl)-2-(ethylamino)benzamide
CID 55178434
N-octadecyl-2-(trifluoromethyl)benzamide
CID 91726413
N-hexadecyl-2-(trifluoromethyl)benzamide
CID 91726412
(2S)-4-[(2-tert-butylbenzoyl)amino]-2-hydroxybutanoic acid
CID 107834398
N-(6-aminohexyl)-2-dodecoxybenzamide
CID 10319064
2-tert-butyl-N-[(2R)-2-hydroxypropyl]benzamide
CID 83031297
N-[[1-(aminomethyl)cyclopentyl]methyl]-2-tert-butylbenzamide
CID 115365396

Frequently Asked Questions

What is the IUPAC name of N-(6-aminohexyl)-2-tert-butylbenzamide?
The IUPAC name of N-(6-aminohexyl)-2-tert-butylbenzamide (CID 107843835) is N-(6-aminohexyl)-2-tert-butylbenzamide.
What is the SMILES notation for N-(6-aminohexyl)-2-tert-butylbenzamide?
The canonical SMILES for N-(6-aminohexyl)-2-tert-butylbenzamide is CC(C)(C)c1ccccc1C(=O)NCCCCCCN.
What is the InChIKey of N-(6-aminohexyl)-2-tert-butylbenzamide?
The InChIKey is IEQFJSIYHVSILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-17(2,3)15-11-7-6-10-14(15)16(20)19-13-9-5-4-8-12-18/h6-7,10-11H,4-5,8-9,12-13,18H2,1-3H3,(H,19,20).
What are the key properties of N-(6-aminohexyl)-2-tert-butylbenzamide?
N-(6-aminohexyl)-2-tert-butylbenzamide has a molecular weight of 276.42 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-aminohexyl)-2-tert-butylbenzamide is sourced from PubChem (CID 107843835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).