N,N-dimethyl-4-propylcyclohexa-1,3-diene-1-carboxamide

C12H19NO — CID 123336662

IUPACN,N-dimethyl-4-propylcyclohexa-1,3-diene-1-carboxamide
SMILESCCCC1=CC=C(C(=O)N(C)C)CC1
InChIInChI=1S/C12H19NO/c1-4-5-10-6-8-11(9-7-10)12(14)13(2)3/h6,8H,4-5,7,9H2,1-3H3
InChIKeyFJCJEPNBDDAVKZ-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.52
Rot. Bonds3

About N,N-dimethyl-4-propylcyclohexa-1,3-diene-1-carboxamide

N,N-dimethyl-4-propylcyclohexa-1,3-diene-1-carboxamide (PubChem CID 123336662) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is N,N-dimethyl-4-propylcyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-propylcyclohexa-1,3-diene-1-carboxamide
PubChem CID123336662
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC NameN,N-dimethyl-4-propylcyclohexa-1,3-diene-1-carboxamide
SMILESCCCC1=CC=C(C(=O)N(C)C)CC1
InChIInChI=1S/C12H19NO/c1-4-5-10-6-8-11(9-7-10)12(14)13(2)3/h6,8H,4-5,7,9H2,1-3H3
InChIKeyFJCJEPNBDDAVKZ-UHFFFAOYSA-N
XLogP2.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-propylcyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of N,N-dimethyl-4-propylcyclohexa-1,3-diene-1-carboxamide (CID 123336662) is N,N-dimethyl-4-propylcyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-propylcyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for N,N-dimethyl-4-propylcyclohexa-1,3-diene-1-carboxamide is CCCC1=CC=C(C(=O)N(C)C)CC1.
What is the InChIKey of N,N-dimethyl-4-propylcyclohexa-1,3-diene-1-carboxamide?
The InChIKey is FJCJEPNBDDAVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-4-5-10-6-8-11(9-7-10)12(14)13(2)3/h6,8H,4-5,7,9H2,1-3H3.
What are the key properties of N,N-dimethyl-4-propylcyclohexa-1,3-diene-1-carboxamide?
N,N-dimethyl-4-propylcyclohexa-1,3-diene-1-carboxamide has a molecular weight of 193.29 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-propylcyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 123336662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).