N,1-diethyl-5-methylcyclohexa-2,4-diene-1-carboxamide

C12H19NO — CID 70141704

IUPACN,1-diethyl-5-methylcyclohexa-2,4-diene-1-carboxamide
SMILESCCNC(=O)C1(CC)C=CC=C(C)C1
InChIInChI=1S/C12H19NO/c1-4-12(11(14)13-5-2)8-6-7-10(3)9-12/h6-8H,4-5,9H2,1-3H3,(H,13,14)
InChIKeyPAFKNZKYRCGBNE-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.43
Rot. Bonds3

About N,1-diethyl-5-methylcyclohexa-2,4-diene-1-carboxamide

N,1-diethyl-5-methylcyclohexa-2,4-diene-1-carboxamide (PubChem CID 70141704) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is N,1-diethyl-5-methylcyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound NameN,1-diethyl-5-methylcyclohexa-2,4-diene-1-carboxamide
PubChem CID70141704
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC NameN,1-diethyl-5-methylcyclohexa-2,4-diene-1-carboxamide
SMILESCCNC(=O)C1(CC)C=CC=C(C)C1
InChIInChI=1S/C12H19NO/c1-4-12(11(14)13-5-2)8-6-7-10(3)9-12/h6-8H,4-5,9H2,1-3H3,(H,13,14)
InChIKeyPAFKNZKYRCGBNE-UHFFFAOYSA-N
XLogP2.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,1-diethyl-5-methylcyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of N,1-diethyl-5-methylcyclohexa-2,4-diene-1-carboxamide (CID 70141704) is N,1-diethyl-5-methylcyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for N,1-diethyl-5-methylcyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for N,1-diethyl-5-methylcyclohexa-2,4-diene-1-carboxamide is CCNC(=O)C1(CC)C=CC=C(C)C1.
What is the InChIKey of N,1-diethyl-5-methylcyclohexa-2,4-diene-1-carboxamide?
The InChIKey is PAFKNZKYRCGBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-4-12(11(14)13-5-2)8-6-7-10(3)9-12/h6-8H,4-5,9H2,1-3H3,(H,13,14).
What are the key properties of N,1-diethyl-5-methylcyclohexa-2,4-diene-1-carboxamide?
N,1-diethyl-5-methylcyclohexa-2,4-diene-1-carboxamide has a molecular weight of 193.29 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-diethyl-5-methylcyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 70141704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).