5-amino-2-(tert-butylamino)-N-cyclopropylbenzamide

C14H21N3O — CID 100639323

IUPAC5-amino-2-(tert-butylamino)-N-cyclopropylbenzamide
SMILESCC(C)(C)Nc1ccc(N)cc1C(=O)NC1CC1
InChIInChI=1S/C14H21N3O/c1-14(2,3)17-12-7-4-9(15)8-11(12)13(18)16-10-5-6-10/h4,7-8,10,17H,5-6,15H2,1-3H3,(H,16,18)
InChIKeyYPKKOCDXTGLYPX-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.37
Rot. Bonds3

About 5-amino-2-(tert-butylamino)-N-cyclopropylbenzamide

5-amino-2-(tert-butylamino)-N-cyclopropylbenzamide (PubChem CID 100639323) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 5-amino-2-(tert-butylamino)-N-cyclopropylbenzamide.

Molecular Properties

Compound Name5-amino-2-(tert-butylamino)-N-cyclopropylbenzamide
PubChem CID100639323
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name5-amino-2-(tert-butylamino)-N-cyclopropylbenzamide
SMILESCC(C)(C)Nc1ccc(N)cc1C(=O)NC1CC1
InChIInChI=1S/C14H21N3O/c1-14(2,3)17-12-7-4-9(15)8-11(12)13(18)16-10-5-6-10/h4,7-8,10,17H,5-6,15H2,1-3H3,(H,16,18)
InChIKeyYPKKOCDXTGLYPX-UHFFFAOYSA-N
XLogP2.37
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-cyclopropyl-2-(propylamino)benzamide
CID 100638190
5-amino-N-cyclopropyl-2-(4-propan-2-ylanilino)benzamide
CID 100644281
5-amino-N-cyclopropyl-2-(2,3-dichloroanilino)benzamide
CID 100647091
5-amino-2-chloro-N-(4-methylcyclohexyl)benzamide
CID 16796108
5-amino-2-(cyclopropylamino)-N-methylbenzamide
CID 100639685
5-amino-N-(4-ethylcyclohexyl)-2-methylbenzamide
CID 61466325
5-amino-N-(4-carbamoylcyclohexyl)-2-methylbenzamide
CID 61291951
5-amino-2-fluoro-N-(4-methylcyclohexyl)benzamide
CID 43510704
5-amino-2-methoxy-N-(4-methylcyclohexyl)benzamide
CID 28690128
methyl 5-amino-2-[[3-(cyclopropylamino)-3-oxopropyl]amino]benzoate
CID 79395347
5-amino-N-(4-carbamoylcyclohexyl)-2-methoxybenzamide
CID 61125956
5-amino-N-(4-methylcyclohexyl)-2-nitrobenzamide
CID 62156540

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(tert-butylamino)-N-cyclopropylbenzamide?
The IUPAC name of 5-amino-2-(tert-butylamino)-N-cyclopropylbenzamide (CID 100639323) is 5-amino-2-(tert-butylamino)-N-cyclopropylbenzamide.
What is the SMILES notation for 5-amino-2-(tert-butylamino)-N-cyclopropylbenzamide?
The canonical SMILES for 5-amino-2-(tert-butylamino)-N-cyclopropylbenzamide is CC(C)(C)Nc1ccc(N)cc1C(=O)NC1CC1.
What is the InChIKey of 5-amino-2-(tert-butylamino)-N-cyclopropylbenzamide?
The InChIKey is YPKKOCDXTGLYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-14(2,3)17-12-7-4-9(15)8-11(12)13(18)16-10-5-6-10/h4,7-8,10,17H,5-6,15H2,1-3H3,(H,16,18).
What are the key properties of 5-amino-2-(tert-butylamino)-N-cyclopropylbenzamide?
5-amino-2-(tert-butylamino)-N-cyclopropylbenzamide has a molecular weight of 247.34 g/mol, XLogP of 2.37, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(tert-butylamino)-N-cyclopropylbenzamide is sourced from PubChem (CID 100639323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).