N,N-bis(2-methylhepta-2,3,4,5,6-pentaenyl)acetamide

C18H17NO — CID 20678876

IUPACN,N-bis(2-methylhepta-2,3,4,5,6-pentaenyl)acetamide
SMILESC=C=C=C=C=C(C)CN(CC(C)=C=C=C=C=C)C(C)=O
InChIInChI=1S/C18H17NO/c1-6-8-10-12-16(3)14-19(18(5)20)15-17(4)13-11-9-7-2/h1-2,14-15H2,3-5H3
InChIKeyFMAOCJWPYRQDJZ-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.23
Rot. Bonds4

About N,N-bis(2-methylhepta-2,3,4,5,6-pentaenyl)acetamide

N,N-bis(2-methylhepta-2,3,4,5,6-pentaenyl)acetamide (PubChem CID 20678876) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is N,N-bis(2-methylhepta-2,3,4,5,6-pentaenyl)acetamide.

Molecular Properties

Compound NameN,N-bis(2-methylhepta-2,3,4,5,6-pentaenyl)acetamide
PubChem CID20678876
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC NameN,N-bis(2-methylhepta-2,3,4,5,6-pentaenyl)acetamide
SMILESC=C=C=C=C=C(C)CN(CC(C)=C=C=C=C=C)C(C)=O
InChIInChI=1S/C18H17NO/c1-6-8-10-12-16(3)14-19(18(5)20)15-17(4)13-11-9-7-2/h1-2,14-15H2,3-5H3
InChIKeyFMAOCJWPYRQDJZ-UHFFFAOYSA-N
XLogP3.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methylhepta-2,3,4,5,6-pentaenyl)acetamide?
The IUPAC name of N,N-bis(2-methylhepta-2,3,4,5,6-pentaenyl)acetamide (CID 20678876) is N,N-bis(2-methylhepta-2,3,4,5,6-pentaenyl)acetamide.
What is the SMILES notation for N,N-bis(2-methylhepta-2,3,4,5,6-pentaenyl)acetamide?
The canonical SMILES for N,N-bis(2-methylhepta-2,3,4,5,6-pentaenyl)acetamide is C=C=C=C=C=C(C)CN(CC(C)=C=C=C=C=C)C(C)=O.
What is the InChIKey of N,N-bis(2-methylhepta-2,3,4,5,6-pentaenyl)acetamide?
The InChIKey is FMAOCJWPYRQDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c1-6-8-10-12-16(3)14-19(18(5)20)15-17(4)13-11-9-7-2/h1-2,14-15H2,3-5H3.
What are the key properties of N,N-bis(2-methylhepta-2,3,4,5,6-pentaenyl)acetamide?
N,N-bis(2-methylhepta-2,3,4,5,6-pentaenyl)acetamide has a molecular weight of 263.34 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methylhepta-2,3,4,5,6-pentaenyl)acetamide is sourced from PubChem (CID 20678876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).