2-methyl-N-[2-methyl-2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)hepta-3,5-dien-3-yl]propanamide

C21H33NO — CID 57064785

IUPAC2-methyl-N-[2-methyl-2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)hepta-3,5-dien-3-yl]propanamide
SMILESCC=CC=C(NC(=O)C(C)C)C(C)(C)C1=C(C)C(C)=C(C)C1C
InChIInChI=1S/C21H33NO/c1-10-11-12-18(22-20(23)13(2)3)21(8,9)19-16(6)14(4)15(5)17(19)7/h10-13,16H,1-9H3,(H,22,23)
InChIKeyGPTDYACUKBCHAI-UHFFFAOYSA-N
MW315.50 g/mol
LogP5.55
Rot. Bonds5

About 2-methyl-N-[2-methyl-2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)hepta-3,5-dien-3-yl]propanamide

2-methyl-N-[2-methyl-2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)hepta-3,5-dien-3-yl]propanamide (PubChem CID 57064785) has the molecular formula C21H33NO and a molecular weight of 315.50 g/mol. Its IUPAC name is 2-methyl-N-[2-methyl-2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)hepta-3,5-dien-3-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-methyl-2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)hepta-3,5-dien-3-yl]propanamide
PubChem CID57064785
Molecular FormulaC21H33NO
Molecular Weight315.50 g/mol
Exact Mass315.26
IUPAC Name2-methyl-N-[2-methyl-2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)hepta-3,5-dien-3-yl]propanamide
SMILESCC=CC=C(NC(=O)C(C)C)C(C)(C)C1=C(C)C(C)=C(C)C1C
InChIInChI=1S/C21H33NO/c1-10-11-12-18(22-20(23)13(2)3)21(8,9)19-16(6)14(4)15(5)17(19)7/h10-13,16H,1-9H3,(H,22,23)
InChIKeyGPTDYACUKBCHAI-UHFFFAOYSA-N
XLogP5.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.50
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-methyl-2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)hepta-3,5-dien-3-yl]propanamide?
The IUPAC name of 2-methyl-N-[2-methyl-2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)hepta-3,5-dien-3-yl]propanamide (CID 57064785) is 2-methyl-N-[2-methyl-2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)hepta-3,5-dien-3-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-methyl-2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)hepta-3,5-dien-3-yl]propanamide?
The canonical SMILES for 2-methyl-N-[2-methyl-2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)hepta-3,5-dien-3-yl]propanamide is CC=CC=C(NC(=O)C(C)C)C(C)(C)C1=C(C)C(C)=C(C)C1C.
What is the InChIKey of 2-methyl-N-[2-methyl-2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)hepta-3,5-dien-3-yl]propanamide?
The InChIKey is GPTDYACUKBCHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33NO/c1-10-11-12-18(22-20(23)13(2)3)21(8,9)19-16(6)14(4)15(5)17(19)7/h10-13,16H,1-9H3,(H,22,23).
What are the key properties of 2-methyl-N-[2-methyl-2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)hepta-3,5-dien-3-yl]propanamide?
2-methyl-N-[2-methyl-2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)hepta-3,5-dien-3-yl]propanamide has a molecular weight of 315.50 g/mol, XLogP of 5.55, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-methyl-2-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)hepta-3,5-dien-3-yl]propanamide is sourced from PubChem (CID 57064785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).