2-methoxy-4-methyl-N-propylcyclohexa-1,3-diene-1-carboxamide

C12H19NO2 — CID 129042821

IUPAC2-methoxy-4-methyl-N-propylcyclohexa-1,3-diene-1-carboxamide
SMILESCCCNC(=O)C1=C(OC)C=C(C)CC1
InChIInChI=1S/C12H19NO2/c1-4-7-13-12(14)10-6-5-9(2)8-11(10)15-3/h8H,4-7H2,1-3H3,(H,13,14)
InChIKeyCNTDFDGBHRJLBF-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.15
Rot. Bonds4

About 2-methoxy-4-methyl-N-propylcyclohexa-1,3-diene-1-carboxamide

2-methoxy-4-methyl-N-propylcyclohexa-1,3-diene-1-carboxamide (PubChem CID 129042821) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-methoxy-4-methyl-N-propylcyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound Name2-methoxy-4-methyl-N-propylcyclohexa-1,3-diene-1-carboxamide
PubChem CID129042821
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2-methoxy-4-methyl-N-propylcyclohexa-1,3-diene-1-carboxamide
SMILESCCCNC(=O)C1=C(OC)C=C(C)CC1
InChIInChI=1S/C12H19NO2/c1-4-7-13-12(14)10-6-5-9(2)8-11(10)15-3/h8H,4-7H2,1-3H3,(H,13,14)
InChIKeyCNTDFDGBHRJLBF-UHFFFAOYSA-N
XLogP2.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methyl-N-propylcyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of 2-methoxy-4-methyl-N-propylcyclohexa-1,3-diene-1-carboxamide (CID 129042821) is 2-methoxy-4-methyl-N-propylcyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for 2-methoxy-4-methyl-N-propylcyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for 2-methoxy-4-methyl-N-propylcyclohexa-1,3-diene-1-carboxamide is CCCNC(=O)C1=C(OC)C=C(C)CC1.
What is the InChIKey of 2-methoxy-4-methyl-N-propylcyclohexa-1,3-diene-1-carboxamide?
The InChIKey is CNTDFDGBHRJLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-4-7-13-12(14)10-6-5-9(2)8-11(10)15-3/h8H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 2-methoxy-4-methyl-N-propylcyclohexa-1,3-diene-1-carboxamide?
2-methoxy-4-methyl-N-propylcyclohexa-1,3-diene-1-carboxamide has a molecular weight of 209.29 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-methyl-N-propylcyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 129042821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).