4-[2-(tert-butylamino)ethylamino]-N-methylbenzamide

C14H23N3O — CID 107444938

IUPAC4-[2-(tert-butylamino)ethylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NCCNC(C)(C)C)cc1
InChIInChI=1S/C14H23N3O/c1-14(2,3)17-10-9-16-12-7-5-11(6-8-12)13(18)15-4/h5-8,16-17H,9-10H2,1-4H3,(H,15,18)
InChIKeyJQXFNFAOBAZXJL-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.85
Rot. Bonds5

About 4-[2-(tert-butylamino)ethylamino]-N-methylbenzamide

4-[2-(tert-butylamino)ethylamino]-N-methylbenzamide (PubChem CID 107444938) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-[2-(tert-butylamino)ethylamino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[2-(tert-butylamino)ethylamino]-N-methylbenzamide
PubChem CID107444938
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name4-[2-(tert-butylamino)ethylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NCCNC(C)(C)C)cc1
InChIInChI=1S/C14H23N3O/c1-14(2,3)17-10-9-16-12-7-5-11(6-8-12)13(18)15-4/h5-8,16-17H,9-10H2,1-4H3,(H,15,18)
InChIKeyJQXFNFAOBAZXJL-UHFFFAOYSA-N
XLogP1.85
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[2-(tert-butylamino)ethylamino]phenyl]-3-methylurea
CID 107445245
N-methyl-4-(2,2,2-trifluoroethylamino)benzamide
CID 59156701
tert-butyl N-[3-[4-(methylcarbamoyl)anilino]propyl]carbamate
CID 103821711
N'-tert-butyl-N-(4-ethylphenyl)ethane-1,2-diamine
CID 107444584
N-methyl-4-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methylamino]benzamide
CID 174740416
methyl 2-[4-[2-(tert-butylamino)ethylamino]phenoxy]acetate
CID 107444896
4-hydrazinyl-N-methylbenzamide
CID 20649402
4-[[4-(methylcarbamoyl)anilino]methyl]benzamide
CID 43232718
N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide
CID 104769743
N-methyl-4-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]benzamide
CID 54846211
4-[2-[4-(2-hydroxyethylamino)phenyl]ethynyl]-N-[4-hydroxy-1-(methylamino)-1,3-dioxobutan-2-yl]benzamide
CID 147516799
N-methyl-4-[(4-propylanilino)methyl]benzamide
CID 60980914

Frequently Asked Questions

What is the IUPAC name of 4-[2-(tert-butylamino)ethylamino]-N-methylbenzamide?
The IUPAC name of 4-[2-(tert-butylamino)ethylamino]-N-methylbenzamide (CID 107444938) is 4-[2-(tert-butylamino)ethylamino]-N-methylbenzamide.
What is the SMILES notation for 4-[2-(tert-butylamino)ethylamino]-N-methylbenzamide?
The canonical SMILES for 4-[2-(tert-butylamino)ethylamino]-N-methylbenzamide is CNC(=O)c1ccc(NCCNC(C)(C)C)cc1.
What is the InChIKey of 4-[2-(tert-butylamino)ethylamino]-N-methylbenzamide?
The InChIKey is JQXFNFAOBAZXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-14(2,3)17-10-9-16-12-7-5-11(6-8-12)13(18)15-4/h5-8,16-17H,9-10H2,1-4H3,(H,15,18).
What are the key properties of 4-[2-(tert-butylamino)ethylamino]-N-methylbenzamide?
4-[2-(tert-butylamino)ethylamino]-N-methylbenzamide has a molecular weight of 249.36 g/mol, XLogP of 1.85, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(tert-butylamino)ethylamino]-N-methylbenzamide is sourced from PubChem (CID 107444938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).