2-amino-N-tert-butyl-N-ethylbenzamide

C13H20N2O — CID 15894058

IUPAC2-amino-N-tert-butyl-N-ethylbenzamide
SMILESCCN(C(=O)c1ccccc1N)C(C)(C)C
InChIInChI=1S/C13H20N2O/c1-5-15(13(2,3)4)12(16)10-8-6-7-9-11(10)14/h6-9H,5,14H2,1-4H3
InChIKeyWMVGKLBBAIUSDR-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.53
Rot. Bonds2

About 2-amino-N-tert-butyl-N-ethylbenzamide

2-amino-N-tert-butyl-N-ethylbenzamide (PubChem CID 15894058) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-amino-N-tert-butyl-N-ethylbenzamide.

Molecular Properties

Compound Name2-amino-N-tert-butyl-N-ethylbenzamide
PubChem CID15894058
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-amino-N-tert-butyl-N-ethylbenzamide
SMILESCCN(C(=O)c1ccccc1N)C(C)(C)C
InChIInChI=1S/C13H20N2O/c1-5-15(13(2,3)4)12(16)10-8-6-7-9-11(10)14/h6-9H,5,14H2,1-4H3
InChIKeyWMVGKLBBAIUSDR-UHFFFAOYSA-N
XLogP2.53
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-butan-2-yl-N-ethylbenzamide
CID 43274061
2-amino-N-tert-butyl-N-[(E)-oct-6-enyl]benzamide
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2-amino-N,N-dipropylbenzamide
CID 16769117
2-amino-N,N-dipropylbenzamide;hydrochloride
CID 119943594
2-aminobenzoic acid;N,N-diethylethanamine
CID 69228024
1-[(2-aminobenzoyl)-tert-butylamino]-1-butylurea
CID 22301808
2-[(2-amino-4-bromobenzoyl)-ethylamino]-2-methylpropanoic acid
CID 79721598
2-amino-N-(cyclopropylmethyl)-N-propylbenzamide
CID 22493330
2-[(2-chlorobenzoyl)-ethylamino]-2-methylpropanoic acid
CID 62823161
3-[tert-butyl-(2-hydroxybenzoyl)amino]propanoic acid
CID 54926194
2-amino-N-methyl-N-propan-2-ylbenzamide
CID 16783285
N-benzyl-2-bromo-N-tert-butylbenzamide
CID 4539378

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-tert-butyl-N-ethylbenzamide?
The IUPAC name of 2-amino-N-tert-butyl-N-ethylbenzamide (CID 15894058) is 2-amino-N-tert-butyl-N-ethylbenzamide.
What is the SMILES notation for 2-amino-N-tert-butyl-N-ethylbenzamide?
The canonical SMILES for 2-amino-N-tert-butyl-N-ethylbenzamide is CCN(C(=O)c1ccccc1N)C(C)(C)C.
What is the InChIKey of 2-amino-N-tert-butyl-N-ethylbenzamide?
The InChIKey is WMVGKLBBAIUSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-5-15(13(2,3)4)12(16)10-8-6-7-9-11(10)14/h6-9H,5,14H2,1-4H3.
What are the key properties of 2-amino-N-tert-butyl-N-ethylbenzamide?
2-amino-N-tert-butyl-N-ethylbenzamide has a molecular weight of 220.32 g/mol, XLogP of 2.53, 2 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-ethylbenzamide is sourced from PubChem (CID 15894058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).