N-phenyl-4-propan-2-ylcyclohexa-1,3-diene-1-carboxamide

C16H19NO — CID 90798448

IUPACN-phenyl-4-propan-2-ylcyclohexa-1,3-diene-1-carboxamide
SMILESCC(C)C1=CC=C(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C16H19NO/c1-12(2)13-8-10-14(11-9-13)16(18)17-15-6-4-3-5-7-15/h3-8,10,12H,9,11H2,1-2H3,(H,17,18)
InChIKeyARWOZGCOUXFSLS-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.93
Rot. Bonds3

About N-phenyl-4-propan-2-ylcyclohexa-1,3-diene-1-carboxamide

N-phenyl-4-propan-2-ylcyclohexa-1,3-diene-1-carboxamide (PubChem CID 90798448) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is N-phenyl-4-propan-2-ylcyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound NameN-phenyl-4-propan-2-ylcyclohexa-1,3-diene-1-carboxamide
PubChem CID90798448
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC NameN-phenyl-4-propan-2-ylcyclohexa-1,3-diene-1-carboxamide
SMILESCC(C)C1=CC=C(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C16H19NO/c1-12(2)13-8-10-14(11-9-13)16(18)17-15-6-4-3-5-7-15/h3-8,10,12H,9,11H2,1-2H3,(H,17,18)
InChIKeyARWOZGCOUXFSLS-UHFFFAOYSA-N
XLogP3.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-propan-2-ylcyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of N-phenyl-4-propan-2-ylcyclohexa-1,3-diene-1-carboxamide (CID 90798448) is N-phenyl-4-propan-2-ylcyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for N-phenyl-4-propan-2-ylcyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for N-phenyl-4-propan-2-ylcyclohexa-1,3-diene-1-carboxamide is CC(C)C1=CC=C(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of N-phenyl-4-propan-2-ylcyclohexa-1,3-diene-1-carboxamide?
The InChIKey is ARWOZGCOUXFSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-12(2)13-8-10-14(11-9-13)16(18)17-15-6-4-3-5-7-15/h3-8,10,12H,9,11H2,1-2H3,(H,17,18).
What are the key properties of N-phenyl-4-propan-2-ylcyclohexa-1,3-diene-1-carboxamide?
N-phenyl-4-propan-2-ylcyclohexa-1,3-diene-1-carboxamide has a molecular weight of 241.33 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-propan-2-ylcyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 90798448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).