4-ethyl-N,N-dipropylcyclohepta-1,3,5-triene-1-carboxamide

C16H25NO — CID 144717942

IUPAC4-ethyl-N,N-dipropylcyclohepta-1,3,5-triene-1-carboxamide
SMILESCCCN(CCC)C(=O)C1=CC=C(CC)C=CC1
InChIInChI=1S/C16H25NO/c1-4-12-17(13-5-2)16(18)15-9-7-8-14(6-3)10-11-15/h7-8,10-11H,4-6,9,12-13H2,1-3H3
InChIKeyHYIZVLPHQONFAB-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.86
Rot. Bonds6

About 4-ethyl-N,N-dipropylcyclohepta-1,3,5-triene-1-carboxamide

4-ethyl-N,N-dipropylcyclohepta-1,3,5-triene-1-carboxamide (PubChem CID 144717942) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 4-ethyl-N,N-dipropylcyclohepta-1,3,5-triene-1-carboxamide.

Molecular Properties

Compound Name4-ethyl-N,N-dipropylcyclohepta-1,3,5-triene-1-carboxamide
PubChem CID144717942
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name4-ethyl-N,N-dipropylcyclohepta-1,3,5-triene-1-carboxamide
SMILESCCCN(CCC)C(=O)C1=CC=C(CC)C=CC1
InChIInChI=1S/C16H25NO/c1-4-12-17(13-5-2)16(18)15-9-7-8-14(6-3)10-11-15/h7-8,10-11H,4-6,9,12-13H2,1-3H3
InChIKeyHYIZVLPHQONFAB-UHFFFAOYSA-N
XLogP3.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N,N-dipropylcyclohepta-1,3,5-triene-1-carboxamide?
The IUPAC name of 4-ethyl-N,N-dipropylcyclohepta-1,3,5-triene-1-carboxamide (CID 144717942) is 4-ethyl-N,N-dipropylcyclohepta-1,3,5-triene-1-carboxamide.
What is the SMILES notation for 4-ethyl-N,N-dipropylcyclohepta-1,3,5-triene-1-carboxamide?
The canonical SMILES for 4-ethyl-N,N-dipropylcyclohepta-1,3,5-triene-1-carboxamide is CCCN(CCC)C(=O)C1=CC=C(CC)C=CC1.
What is the InChIKey of 4-ethyl-N,N-dipropylcyclohepta-1,3,5-triene-1-carboxamide?
The InChIKey is HYIZVLPHQONFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-12-17(13-5-2)16(18)15-9-7-8-14(6-3)10-11-15/h7-8,10-11H,4-6,9,12-13H2,1-3H3.
What are the key properties of 4-ethyl-N,N-dipropylcyclohepta-1,3,5-triene-1-carboxamide?
4-ethyl-N,N-dipropylcyclohepta-1,3,5-triene-1-carboxamide has a molecular weight of 247.38 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N,N-dipropylcyclohepta-1,3,5-triene-1-carboxamide is sourced from PubChem (CID 144717942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).