N,N-dicyclohexylcyclopenta-2,4-diene-1-carboxamide

C18H27NO — CID 101089270

IUPACN,N-dicyclohexylcyclopenta-2,4-diene-1-carboxamide
SMILESO=C(C1C=CC=C1)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H27NO/c20-18(15-9-7-8-10-15)19(16-11-3-1-4-12-16)17-13-5-2-6-14-17/h7-10,15-17H,1-6,11-14H2
InChIKeyILCQBLGFKPCVMD-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.22
Rot. Bonds3

About N,N-dicyclohexylcyclopenta-2,4-diene-1-carboxamide

N,N-dicyclohexylcyclopenta-2,4-diene-1-carboxamide (PubChem CID 101089270) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N,N-dicyclohexylcyclopenta-2,4-diene-1-carboxamide.

Molecular Properties

Compound NameN,N-dicyclohexylcyclopenta-2,4-diene-1-carboxamide
PubChem CID101089270
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN,N-dicyclohexylcyclopenta-2,4-diene-1-carboxamide
SMILESO=C(C1C=CC=C1)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H27NO/c20-18(15-9-7-8-10-15)19(16-11-3-1-4-12-16)17-13-5-2-6-14-17/h7-10,15-17H,1-6,11-14H2
InChIKeyILCQBLGFKPCVMD-UHFFFAOYSA-N
XLogP4.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexylcyclopenta-2,4-diene-1-carboxamide?
The IUPAC name of N,N-dicyclohexylcyclopenta-2,4-diene-1-carboxamide (CID 101089270) is N,N-dicyclohexylcyclopenta-2,4-diene-1-carboxamide.
What is the SMILES notation for N,N-dicyclohexylcyclopenta-2,4-diene-1-carboxamide?
The canonical SMILES for N,N-dicyclohexylcyclopenta-2,4-diene-1-carboxamide is O=C(C1C=CC=C1)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of N,N-dicyclohexylcyclopenta-2,4-diene-1-carboxamide?
The InChIKey is ILCQBLGFKPCVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c20-18(15-9-7-8-10-15)19(16-11-3-1-4-12-16)17-13-5-2-6-14-17/h7-10,15-17H,1-6,11-14H2.
What are the key properties of N,N-dicyclohexylcyclopenta-2,4-diene-1-carboxamide?
N,N-dicyclohexylcyclopenta-2,4-diene-1-carboxamide has a molecular weight of 273.42 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexylcyclopenta-2,4-diene-1-carboxamide is sourced from PubChem (CID 101089270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).