5-tert-butyl-N-cyclopropyl-2-methoxybenzamide

C15H21NO2 — CID 110761313

IUPAC5-tert-butyl-N-cyclopropyl-2-methoxybenzamide
SMILESCOc1ccc(C(C)(C)C)cc1C(=O)NC1CC1
InChIInChI=1S/C15H21NO2/c1-15(2,3)10-5-8-13(18-4)12(9-10)14(17)16-11-6-7-11/h5,8-9,11H,6-7H2,1-4H3,(H,16,17)
InChIKeyBRYJULDZQUTTON-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.88
Rot. Bonds3

About 5-tert-butyl-N-cyclopropyl-2-methoxybenzamide

5-tert-butyl-N-cyclopropyl-2-methoxybenzamide (PubChem CID 110761313) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 5-tert-butyl-N-cyclopropyl-2-methoxybenzamide.

Molecular Properties

Compound Name5-tert-butyl-N-cyclopropyl-2-methoxybenzamide
PubChem CID110761313
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name5-tert-butyl-N-cyclopropyl-2-methoxybenzamide
SMILESCOc1ccc(C(C)(C)C)cc1C(=O)NC1CC1
InChIInChI=1S/C15H21NO2/c1-15(2,3)10-5-8-13(18-4)12(9-10)14(17)16-11-6-7-11/h5,8-9,11H,6-7H2,1-4H3,(H,16,17)
InChIKeyBRYJULDZQUTTON-UHFFFAOYSA-N
XLogP2.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-2-methoxy-5-phenylbenzamide
CID 110406431
N-(4-chlorocyclohexyl)-2,5-dimethoxybenzamide
CID 114296927
N-(4-bromocyclohexyl)-2-methoxy-5-methylbenzamide
CID 113274311
2-methoxy-N-[4-[(2-methoxybenzoyl)amino]cyclohexyl]benzamide
CID 1235931
N-cyclopropyl-2-methoxy-5-nitrobenzamide
CID 9210144
5-bromo-N-(4-hydroxycyclohexyl)-2-methoxybenzamide
CID 115277460
5-fluoro-2-methoxy-N-(4-methylcyclohexyl)benzamide
CID 31306165
5-amino-2-methoxy-N-(4-methylcyclohexyl)benzamide
CID 28690128
5-tert-butyl-2-methoxy-N',N'-dimethylbenzohydrazide
CID 116847946
N-(2-acetamidoethyl)-5-tert-butyl-2-methoxybenzamide
CID 110761334
N-cyclohexyl-2,5-dimethoxybenzamide
CID 8573659
5-amino-N-(4-carbamoylcyclohexyl)-2-methoxybenzamide
CID 61125956

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-cyclopropyl-2-methoxybenzamide?
The IUPAC name of 5-tert-butyl-N-cyclopropyl-2-methoxybenzamide (CID 110761313) is 5-tert-butyl-N-cyclopropyl-2-methoxybenzamide.
What is the SMILES notation for 5-tert-butyl-N-cyclopropyl-2-methoxybenzamide?
The canonical SMILES for 5-tert-butyl-N-cyclopropyl-2-methoxybenzamide is COc1ccc(C(C)(C)C)cc1C(=O)NC1CC1.
What is the InChIKey of 5-tert-butyl-N-cyclopropyl-2-methoxybenzamide?
The InChIKey is BRYJULDZQUTTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-15(2,3)10-5-8-13(18-4)12(9-10)14(17)16-11-6-7-11/h5,8-9,11H,6-7H2,1-4H3,(H,16,17).
What are the key properties of 5-tert-butyl-N-cyclopropyl-2-methoxybenzamide?
5-tert-butyl-N-cyclopropyl-2-methoxybenzamide has a molecular weight of 247.34 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-cyclopropyl-2-methoxybenzamide is sourced from PubChem (CID 110761313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).