3-tert-butyl-N-[2-(tert-butylamino)ethyl]benzamide

C17H28N2O — CID 134167211

IUPAC3-tert-butyl-N-[2-(tert-butylamino)ethyl]benzamide
SMILESCC(C)(C)NCCNC(=O)c1cccc(C(C)(C)C)c1
InChIInChI=1S/C17H28N2O/c1-16(2,3)14-9-7-8-13(12-14)15(20)18-10-11-19-17(4,5)6/h7-9,12,19H,10-11H2,1-6H3,(H,18,20)
InChIKeyMRNNWXXEUQTBAW-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.10
Rot. Bonds4

About 3-tert-butyl-N-[2-(tert-butylamino)ethyl]benzamide

3-tert-butyl-N-[2-(tert-butylamino)ethyl]benzamide (PubChem CID 134167211) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 3-tert-butyl-N-[2-(tert-butylamino)ethyl]benzamide.

Molecular Properties

Compound Name3-tert-butyl-N-[2-(tert-butylamino)ethyl]benzamide
PubChem CID134167211
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name3-tert-butyl-N-[2-(tert-butylamino)ethyl]benzamide
SMILESCC(C)(C)NCCNC(=O)c1cccc(C(C)(C)C)c1
InChIInChI=1S/C17H28N2O/c1-16(2,3)14-9-7-8-13(12-14)15(20)18-10-11-19-17(4,5)6/h7-9,12,19H,10-11H2,1-6H3,(H,18,20)
InChIKeyMRNNWXXEUQTBAW-UHFFFAOYSA-N
XLogP3.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.10
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

3-(2-hydroxypropan-2-yl)-N-(3-hydroxypropyl)benzamide
CID 110486052
N-(3-hydroxy-3-methylbutyl)-3-(trifluoromethyl)benzamide
CID 91445268
3-[(tert-butylamino)methyl]-N-(2-hydroxyethyl)benzamide
CID 138647417
3-tert-butyl-N-cyclopropylbenzamide
CID 59732225
N-(5-hydroxypentyl)-3-(2-hydroxypropan-2-yl)benzamide
CID 110486103
tert-butyl N-[2-[(3-methylbenzoyl)amino]ethyl]carbamate
CID 71248417
N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
CID 17217262
3-bromo-N-[3-(tert-butylamino)propyl]benzamide;(Z)-but-2-enedioic acid
CID 91885494
N-(2-bromoethyl)-3-(trifluoromethyl)benzamide
CID 3500236
N-[(3-tert-butylphenyl)methyl]benzamide
CID 58788636
N-(3-formamidopropyl)-3-(2-hydroxypropan-2-yl)benzamide
CID 110486069
N-(2-aminoethyl)-3-(trifluoromethyl)benzamide;propan-1-amine
CID 142510750

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-[2-(tert-butylamino)ethyl]benzamide?
The IUPAC name of 3-tert-butyl-N-[2-(tert-butylamino)ethyl]benzamide (CID 134167211) is 3-tert-butyl-N-[2-(tert-butylamino)ethyl]benzamide.
What is the SMILES notation for 3-tert-butyl-N-[2-(tert-butylamino)ethyl]benzamide?
The canonical SMILES for 3-tert-butyl-N-[2-(tert-butylamino)ethyl]benzamide is CC(C)(C)NCCNC(=O)c1cccc(C(C)(C)C)c1.
What is the InChIKey of 3-tert-butyl-N-[2-(tert-butylamino)ethyl]benzamide?
The InChIKey is MRNNWXXEUQTBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-16(2,3)14-9-7-8-13(12-14)15(20)18-10-11-19-17(4,5)6/h7-9,12,19H,10-11H2,1-6H3,(H,18,20).
What are the key properties of 3-tert-butyl-N-[2-(tert-butylamino)ethyl]benzamide?
3-tert-butyl-N-[2-(tert-butylamino)ethyl]benzamide has a molecular weight of 276.42 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-[2-(tert-butylamino)ethyl]benzamide is sourced from PubChem (CID 134167211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).