N-tert-butyl-N-(cyclopropylmethyl)-2-methylpropanamide

C12H23NO — CID 146435466

IUPACN-tert-butyl-N-(cyclopropylmethyl)-2-methylpropanamide
SMILESCC(C)C(=O)N(CC1CC1)C(C)(C)C
InChIInChI=1S/C12H23NO/c1-9(2)11(14)13(12(3,4)5)8-10-6-7-10/h9-10H,6-8H2,1-5H3
InChIKeyTVNQRZHLQAFNMR-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.68
Rot. Bonds3

About N-tert-butyl-N-(cyclopropylmethyl)-2-methylpropanamide

N-tert-butyl-N-(cyclopropylmethyl)-2-methylpropanamide (PubChem CID 146435466) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-tert-butyl-N-(cyclopropylmethyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-tert-butyl-N-(cyclopropylmethyl)-2-methylpropanamide
PubChem CID146435466
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-tert-butyl-N-(cyclopropylmethyl)-2-methylpropanamide
SMILESCC(C)C(=O)N(CC1CC1)C(C)(C)C
InChIInChI=1S/C12H23NO/c1-9(2)11(14)13(12(3,4)5)8-10-6-7-10/h9-10H,6-8H2,1-5H3
InChIKeyTVNQRZHLQAFNMR-UHFFFAOYSA-N
XLogP2.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-(cyclopropylmethyl)-2-methylpropanamide?
The IUPAC name of N-tert-butyl-N-(cyclopropylmethyl)-2-methylpropanamide (CID 146435466) is N-tert-butyl-N-(cyclopropylmethyl)-2-methylpropanamide.
What is the SMILES notation for N-tert-butyl-N-(cyclopropylmethyl)-2-methylpropanamide?
The canonical SMILES for N-tert-butyl-N-(cyclopropylmethyl)-2-methylpropanamide is CC(C)C(=O)N(CC1CC1)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-(cyclopropylmethyl)-2-methylpropanamide?
The InChIKey is TVNQRZHLQAFNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-9(2)11(14)13(12(3,4)5)8-10-6-7-10/h9-10H,6-8H2,1-5H3.
What are the key properties of N-tert-butyl-N-(cyclopropylmethyl)-2-methylpropanamide?
N-tert-butyl-N-(cyclopropylmethyl)-2-methylpropanamide has a molecular weight of 197.32 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-(cyclopropylmethyl)-2-methylpropanamide is sourced from PubChem (CID 146435466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).