N-tert-butyl-3-cyclopropyl-N-methylbenzamide

C15H21NO — CID 138467117

IUPACN-tert-butyl-3-cyclopropyl-N-methylbenzamide
SMILESCN(C(=O)c1cccc(C2CC2)c1)C(C)(C)C
InChIInChI=1S/C15H21NO/c1-15(2,3)16(4)14(17)13-7-5-6-12(10-13)11-8-9-11/h5-7,10-11H,8-9H2,1-4H3
InChIKeyBNROTXOGYBAKSU-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.43
Rot. Bonds2

About N-tert-butyl-3-cyclopropyl-N-methylbenzamide

N-tert-butyl-3-cyclopropyl-N-methylbenzamide (PubChem CID 138467117) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is N-tert-butyl-3-cyclopropyl-N-methylbenzamide.

Molecular Properties

Compound NameN-tert-butyl-3-cyclopropyl-N-methylbenzamide
PubChem CID138467117
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC NameN-tert-butyl-3-cyclopropyl-N-methylbenzamide
SMILESCN(C(=O)c1cccc(C2CC2)c1)C(C)(C)C
InChIInChI=1S/C15H21NO/c1-15(2,3)16(4)14(17)13-7-5-6-12(10-13)11-8-9-11/h5-7,10-11H,8-9H2,1-4H3
InChIKeyBNROTXOGYBAKSU-UHFFFAOYSA-N
XLogP3.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-cyclopropyl-N-methylbenzamide?
The IUPAC name of N-tert-butyl-3-cyclopropyl-N-methylbenzamide (CID 138467117) is N-tert-butyl-3-cyclopropyl-N-methylbenzamide.
What is the SMILES notation for N-tert-butyl-3-cyclopropyl-N-methylbenzamide?
The canonical SMILES for N-tert-butyl-3-cyclopropyl-N-methylbenzamide is CN(C(=O)c1cccc(C2CC2)c1)C(C)(C)C.
What is the InChIKey of N-tert-butyl-3-cyclopropyl-N-methylbenzamide?
The InChIKey is BNROTXOGYBAKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-15(2,3)16(4)14(17)13-7-5-6-12(10-13)11-8-9-11/h5-7,10-11H,8-9H2,1-4H3.
What are the key properties of N-tert-butyl-3-cyclopropyl-N-methylbenzamide?
N-tert-butyl-3-cyclopropyl-N-methylbenzamide has a molecular weight of 231.34 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-cyclopropyl-N-methylbenzamide is sourced from PubChem (CID 138467117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).