N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-methylpropanamide

C13H17NO — CID 60810919

IUPACN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-methylpropanamide
SMILESCC(C)C(=O)NCC1Cc2ccccc21
InChIInChI=1S/C13H17NO/c1-9(2)13(15)14-8-11-7-10-5-3-4-6-12(10)11/h3-6,9,11H,7-8H2,1-2H3,(H,14,15)
InChIKeyZBEOFJNNGJCKHU-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.10
Rot. Bonds3

About N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-methylpropanamide

N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-methylpropanamide (PubChem CID 60810919) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-methylpropanamide
PubChem CID60810919
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC NameN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-methylpropanamide
SMILESCC(C)C(=O)NCC1Cc2ccccc21
InChIInChI=1S/C13H17NO/c1-9(2)13(15)14-8-11-7-10-5-3-4-6-12(10)11/h3-6,9,11H,7-8H2,1-2H3,(H,14,15)
InChIKeyZBEOFJNNGJCKHU-UHFFFAOYSA-N
XLogP2.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)butanamide
CID 79024332
3-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-hydroxyimino-2-methylpropanamide
CID 77133118
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-[4-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-2-oxoethyl]phenyl]acetamide
CID 166214928
2-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)butanediamide
CID 54928768
2-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-(4-methylphenyl)acetamide
CID 106151376
(2S)-2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)propanoic acid
CID 83194092
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-oxobutanamide
CID 60815550
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-(propan-2-ylamino)propanamide
CID 60852367
5-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-3-methyl-5-oxopentanoic acid
CID 55155028
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-cyano-2-phenylacetamide
CID 66408451
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-N-tert-butylpropanamide
CID 66396184
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-N-phenylpropanamide
CID 66395417

Frequently Asked Questions

What is the IUPAC name of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-methylpropanamide?
The IUPAC name of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-methylpropanamide (CID 60810919) is N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-methylpropanamide.
What is the SMILES notation for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-methylpropanamide?
The canonical SMILES for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-methylpropanamide is CC(C)C(=O)NCC1Cc2ccccc21.
What is the InChIKey of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-methylpropanamide?
The InChIKey is ZBEOFJNNGJCKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-9(2)13(15)14-8-11-7-10-5-3-4-6-12(10)11/h3-6,9,11H,7-8H2,1-2H3,(H,14,15).
What are the key properties of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-methylpropanamide?
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-methylpropanamide has a molecular weight of 203.28 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-methylpropanamide is sourced from PubChem (CID 60810919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).