N-(cyclododecahexaenyl)butanamide

C16H19NO — CID 123599796

IUPACN-(cyclododecahexaenyl)butanamide
SMILESCCCC(=O)NC1=CC=CC=CC=CC=CC=C1
InChIInChI=1S/C16H19NO/c1-2-12-16(18)17-15-13-10-8-6-4-3-5-7-9-11-14-15/h3-11,13-14H,2,12H2,1H3,(H,17,18)
InChIKeyZZTMLBNGGQUYPU-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.58
Rot. Bonds3

About N-(cyclododecahexaenyl)butanamide

N-(cyclododecahexaenyl)butanamide (PubChem CID 123599796) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is N-(cyclododecahexaenyl)butanamide.

Molecular Properties

Compound NameN-(cyclododecahexaenyl)butanamide
PubChem CID123599796
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC NameN-(cyclododecahexaenyl)butanamide
SMILESCCCC(=O)NC1=CC=CC=CC=CC=CC=C1
InChIInChI=1S/C16H19NO/c1-2-12-16(18)17-15-13-10-8-6-4-3-5-7-9-11-14-15/h3-11,13-14H,2,12H2,1H3,(H,17,18)
InChIKeyZZTMLBNGGQUYPU-UHFFFAOYSA-N
XLogP3.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3E)-penta-1,3-dien-3-yl]acetamide
CID 44386440
N-[(2E,4Z,6Z)-6-fluoroocta-2,4,6-trien-3-yl]cyclopropanecarboxamide
CID 144539049
N-[(3E)-2-fluorohexa-1,3,5-trien-3-yl]propanamide
CID 144482461
N-penta-1,3-dien-3-ylacetamide
CID 53752208
N-[(3Z)-hexa-1,3,5-trien-2-yl]-3-oxobutanamide
CID 58819118
N-deca-2,4,5,6,7,8,9-heptaen-4-ylacetamide
CID 59912272
N-[(3Z)-penta-1,3-dien-2-yl]propanamide
CID 88189429
N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]acetamide
CID 89000434
N-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]acetamide
CID 89553080
N-[(2Z,4E,6E)-octa-2,4,6-trien-4-yl]acetamide
CID 89899372
2-methyl-N-(2-methylhexa-2,4-dien-3-yl)propanamide
CID 90722137
N-hexa-2,4-dien-3-ylacetamide
CID 90871409

Frequently Asked Questions

What is the IUPAC name of N-(cyclododecahexaenyl)butanamide?
The IUPAC name of N-(cyclododecahexaenyl)butanamide (CID 123599796) is N-(cyclododecahexaenyl)butanamide.
What is the SMILES notation for N-(cyclododecahexaenyl)butanamide?
The canonical SMILES for N-(cyclododecahexaenyl)butanamide is CCCC(=O)NC1=CC=CC=CC=CC=CC=C1.
What is the InChIKey of N-(cyclododecahexaenyl)butanamide?
The InChIKey is ZZTMLBNGGQUYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-2-12-16(18)17-15-13-10-8-6-4-3-5-7-9-11-14-15/h3-11,13-14H,2,12H2,1H3,(H,17,18).
What are the key properties of N-(cyclododecahexaenyl)butanamide?
N-(cyclododecahexaenyl)butanamide has a molecular weight of 241.33 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclododecahexaenyl)butanamide is sourced from PubChem (CID 123599796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).