N-(2,3-dimethylhexyl)-2-(2-methylcyclohepta-1,6-dien-1-yl)acetamide

C18H31NO — CID 123419411

IUPACN-(2,3-dimethylhexyl)-2-(2-methylcyclohepta-1,6-dien-1-yl)acetamide
SMILESCCCC(C)C(C)CNC(=O)CC1=C(C)CCCC=C1
InChIInChI=1S/C18H31NO/c1-5-9-14(2)16(4)13-19-18(20)12-17-11-8-6-7-10-15(17)3/h8,11,14,16H,5-7,9-10,12-13H2,1-4H3,(H,19,20)
InChIKeyYVBYOTXJRBEHRF-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.62
Rot. Bonds7

About N-(2,3-dimethylhexyl)-2-(2-methylcyclohepta-1,6-dien-1-yl)acetamide

N-(2,3-dimethylhexyl)-2-(2-methylcyclohepta-1,6-dien-1-yl)acetamide (PubChem CID 123419411) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is N-(2,3-dimethylhexyl)-2-(2-methylcyclohepta-1,6-dien-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylhexyl)-2-(2-methylcyclohepta-1,6-dien-1-yl)acetamide
PubChem CID123419411
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC NameN-(2,3-dimethylhexyl)-2-(2-methylcyclohepta-1,6-dien-1-yl)acetamide
SMILESCCCC(C)C(C)CNC(=O)CC1=C(C)CCCC=C1
InChIInChI=1S/C18H31NO/c1-5-9-14(2)16(4)13-19-18(20)12-17-11-8-6-7-10-15(17)3/h8,11,14,16H,5-7,9-10,12-13H2,1-4H3,(H,19,20)
InChIKeyYVBYOTXJRBEHRF-UHFFFAOYSA-N
XLogP4.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylhexyl)-2-(2-methylcyclohepta-1,6-dien-1-yl)acetamide?
The IUPAC name of N-(2,3-dimethylhexyl)-2-(2-methylcyclohepta-1,6-dien-1-yl)acetamide (CID 123419411) is N-(2,3-dimethylhexyl)-2-(2-methylcyclohepta-1,6-dien-1-yl)acetamide.
What is the SMILES notation for N-(2,3-dimethylhexyl)-2-(2-methylcyclohepta-1,6-dien-1-yl)acetamide?
The canonical SMILES for N-(2,3-dimethylhexyl)-2-(2-methylcyclohepta-1,6-dien-1-yl)acetamide is CCCC(C)C(C)CNC(=O)CC1=C(C)CCCC=C1.
What is the InChIKey of N-(2,3-dimethylhexyl)-2-(2-methylcyclohepta-1,6-dien-1-yl)acetamide?
The InChIKey is YVBYOTXJRBEHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-5-9-14(2)16(4)13-19-18(20)12-17-11-8-6-7-10-15(17)3/h8,11,14,16H,5-7,9-10,12-13H2,1-4H3,(H,19,20).
What are the key properties of N-(2,3-dimethylhexyl)-2-(2-methylcyclohepta-1,6-dien-1-yl)acetamide?
N-(2,3-dimethylhexyl)-2-(2-methylcyclohepta-1,6-dien-1-yl)acetamide has a molecular weight of 277.45 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylhexyl)-2-(2-methylcyclohepta-1,6-dien-1-yl)acetamide is sourced from PubChem (CID 123419411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).