1-butan-2-yl-N,N-diethylcyclohexa-2,4-diene-1-carboxamide

C15H25NO — CID 142632082

IUPAC1-butan-2-yl-N,N-diethylcyclohexa-2,4-diene-1-carboxamide
SMILESCCC(C)C1(C(=O)N(CC)CC)C=CC=CC1
InChIInChI=1S/C15H25NO/c1-5-13(4)15(11-9-8-10-12-15)14(17)16(6-2)7-3/h8-11,13H,5-7,12H2,1-4H3
InChIKeyNRMYTMQKCJVQIQ-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.40
Rot. Bonds5

About 1-butan-2-yl-N,N-diethylcyclohexa-2,4-diene-1-carboxamide

1-butan-2-yl-N,N-diethylcyclohexa-2,4-diene-1-carboxamide (PubChem CID 142632082) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-butan-2-yl-N,N-diethylcyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name1-butan-2-yl-N,N-diethylcyclohexa-2,4-diene-1-carboxamide
PubChem CID142632082
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-butan-2-yl-N,N-diethylcyclohexa-2,4-diene-1-carboxamide
SMILESCCC(C)C1(C(=O)N(CC)CC)C=CC=CC1
InChIInChI=1S/C15H25NO/c1-5-13(4)15(11-9-8-10-12-15)14(17)16(6-2)7-3/h8-11,13H,5-7,12H2,1-4H3
InChIKeyNRMYTMQKCJVQIQ-UHFFFAOYSA-N
XLogP3.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-N,N-diethylcyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of 1-butan-2-yl-N,N-diethylcyclohexa-2,4-diene-1-carboxamide (CID 142632082) is 1-butan-2-yl-N,N-diethylcyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for 1-butan-2-yl-N,N-diethylcyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for 1-butan-2-yl-N,N-diethylcyclohexa-2,4-diene-1-carboxamide is CCC(C)C1(C(=O)N(CC)CC)C=CC=CC1.
What is the InChIKey of 1-butan-2-yl-N,N-diethylcyclohexa-2,4-diene-1-carboxamide?
The InChIKey is NRMYTMQKCJVQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-13(4)15(11-9-8-10-12-15)14(17)16(6-2)7-3/h8-11,13H,5-7,12H2,1-4H3.
What are the key properties of 1-butan-2-yl-N,N-diethylcyclohexa-2,4-diene-1-carboxamide?
1-butan-2-yl-N,N-diethylcyclohexa-2,4-diene-1-carboxamide has a molecular weight of 235.37 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-N,N-diethylcyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 142632082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).