N-cyclohepta-1,3,6-trien-1-yl-N-(2-methylbutan-2-yl)propanamide

C15H23NO — CID 153346824

IUPACN-cyclohepta-1,3,6-trien-1-yl-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(=O)N(C1=CC=CCC=C1)C(C)(C)CC
InChIInChI=1S/C15H23NO/c1-5-14(17)16(15(3,4)6-2)13-11-9-7-8-10-12-13/h7,9-12H,5-6,8H2,1-4H3
InChIKeyBWJYKRFCAUXMIV-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.81
Rot. Bonds4

About N-cyclohepta-1,3,6-trien-1-yl-N-(2-methylbutan-2-yl)propanamide

N-cyclohepta-1,3,6-trien-1-yl-N-(2-methylbutan-2-yl)propanamide (PubChem CID 153346824) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-cyclohepta-1,3,6-trien-1-yl-N-(2-methylbutan-2-yl)propanamide.

Molecular Properties

Compound NameN-cyclohepta-1,3,6-trien-1-yl-N-(2-methylbutan-2-yl)propanamide
PubChem CID153346824
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-cyclohepta-1,3,6-trien-1-yl-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(=O)N(C1=CC=CCC=C1)C(C)(C)CC
InChIInChI=1S/C15H23NO/c1-5-14(17)16(15(3,4)6-2)13-11-9-7-8-10-12-13/h7,9-12H,5-6,8H2,1-4H3
InChIKeyBWJYKRFCAUXMIV-UHFFFAOYSA-N
XLogP3.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-cyclohepta-1,3,6-trien-1-yl-N-(2-methylbutan-2-yl)propanamide?
The IUPAC name of N-cyclohepta-1,3,6-trien-1-yl-N-(2-methylbutan-2-yl)propanamide (CID 153346824) is N-cyclohepta-1,3,6-trien-1-yl-N-(2-methylbutan-2-yl)propanamide.
What is the SMILES notation for N-cyclohepta-1,3,6-trien-1-yl-N-(2-methylbutan-2-yl)propanamide?
The canonical SMILES for N-cyclohepta-1,3,6-trien-1-yl-N-(2-methylbutan-2-yl)propanamide is CCC(=O)N(C1=CC=CCC=C1)C(C)(C)CC.
What is the InChIKey of N-cyclohepta-1,3,6-trien-1-yl-N-(2-methylbutan-2-yl)propanamide?
The InChIKey is BWJYKRFCAUXMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-5-14(17)16(15(3,4)6-2)13-11-9-7-8-10-12-13/h7,9-12H,5-6,8H2,1-4H3.
What are the key properties of N-cyclohepta-1,3,6-trien-1-yl-N-(2-methylbutan-2-yl)propanamide?
N-cyclohepta-1,3,6-trien-1-yl-N-(2-methylbutan-2-yl)propanamide has a molecular weight of 233.35 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohepta-1,3,6-trien-1-yl-N-(2-methylbutan-2-yl)propanamide is sourced from PubChem (CID 153346824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).