N-[5-(2-carbamoylcyclopent-2-en-1-yl)-3-oxopentan-2-yl]-2-methylcycloocta-1,5,7-triene-1-carboxamide

C21H28N2O3 — CID 163618944

IUPACN-[5-(2-carbamoylcyclopent-2-en-1-yl)-3-oxopentan-2-yl]-2-methylcycloocta-1,5,7-triene-1-carboxamide
SMILESCC1=C(C(=O)NC(C)C(=O)CCC2CCC=C2C(N)=O)C=CC=CCC1
InChIInChI=1S/C21H28N2O3/c1-14-8-5-3-4-6-10-17(14)21(26)23-15(2)19(24)13-12-16-9-7-11-18(16)20(22)25/h3-4,6,10-11,15-16H,5,7-9,12-13H2,1-2H3,(H2,22,25)(H,23,26)
InChIKeyHMKMKFSXEQAHFK-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.88
Rot. Bonds7

About N-[5-(2-carbamoylcyclopent-2-en-1-yl)-3-oxopentan-2-yl]-2-methylcycloocta-1,5,7-triene-1-carboxamide

N-[5-(2-carbamoylcyclopent-2-en-1-yl)-3-oxopentan-2-yl]-2-methylcycloocta-1,5,7-triene-1-carboxamide (PubChem CID 163618944) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[5-(2-carbamoylcyclopent-2-en-1-yl)-3-oxopentan-2-yl]-2-methylcycloocta-1,5,7-triene-1-carboxamide.

Molecular Properties

Compound NameN-[5-(2-carbamoylcyclopent-2-en-1-yl)-3-oxopentan-2-yl]-2-methylcycloocta-1,5,7-triene-1-carboxamide
PubChem CID163618944
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC NameN-[5-(2-carbamoylcyclopent-2-en-1-yl)-3-oxopentan-2-yl]-2-methylcycloocta-1,5,7-triene-1-carboxamide
SMILESCC1=C(C(=O)NC(C)C(=O)CCC2CCC=C2C(N)=O)C=CC=CCC1
InChIInChI=1S/C21H28N2O3/c1-14-8-5-3-4-6-10-17(14)21(26)23-15(2)19(24)13-12-16-9-7-11-18(16)20(22)25/h3-4,6,10-11,15-16H,5,7-9,12-13H2,1-2H3,(H2,22,25)(H,23,26)
InChIKeyHMKMKFSXEQAHFK-UHFFFAOYSA-N
XLogP2.88
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-carbamoylcyclopent-2-en-1-yl)-3-oxopentan-2-yl]-2-methylcycloocta-1,5,7-triene-1-carboxamide?
The IUPAC name of N-[5-(2-carbamoylcyclopent-2-en-1-yl)-3-oxopentan-2-yl]-2-methylcycloocta-1,5,7-triene-1-carboxamide (CID 163618944) is N-[5-(2-carbamoylcyclopent-2-en-1-yl)-3-oxopentan-2-yl]-2-methylcycloocta-1,5,7-triene-1-carboxamide.
What is the SMILES notation for N-[5-(2-carbamoylcyclopent-2-en-1-yl)-3-oxopentan-2-yl]-2-methylcycloocta-1,5,7-triene-1-carboxamide?
The canonical SMILES for N-[5-(2-carbamoylcyclopent-2-en-1-yl)-3-oxopentan-2-yl]-2-methylcycloocta-1,5,7-triene-1-carboxamide is CC1=C(C(=O)NC(C)C(=O)CCC2CCC=C2C(N)=O)C=CC=CCC1.
What is the InChIKey of N-[5-(2-carbamoylcyclopent-2-en-1-yl)-3-oxopentan-2-yl]-2-methylcycloocta-1,5,7-triene-1-carboxamide?
The InChIKey is HMKMKFSXEQAHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-14-8-5-3-4-6-10-17(14)21(26)23-15(2)19(24)13-12-16-9-7-11-18(16)20(22)25/h3-4,6,10-11,15-16H,5,7-9,12-13H2,1-2H3,(H2,22,25)(H,23,26).
What are the key properties of N-[5-(2-carbamoylcyclopent-2-en-1-yl)-3-oxopentan-2-yl]-2-methylcycloocta-1,5,7-triene-1-carboxamide?
N-[5-(2-carbamoylcyclopent-2-en-1-yl)-3-oxopentan-2-yl]-2-methylcycloocta-1,5,7-triene-1-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-carbamoylcyclopent-2-en-1-yl)-3-oxopentan-2-yl]-2-methylcycloocta-1,5,7-triene-1-carboxamide is sourced from PubChem (CID 163618944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).