N-cyclohexyl-5-methylcyclodeca-1,3,5,7,9-pentaene-1-carboxamide

C18H23NO — CID 171081015

IUPACN-cyclohexyl-5-methylcyclodeca-1,3,5,7,9-pentaene-1-carboxamide
SMILESCc1cccccc(C(=O)NC2CCCCC2)ccc1
InChIInChI=1S/C18H23NO/c1-15-9-4-2-5-11-16(12-8-10-15)18(20)19-17-13-6-3-7-14-17/h2,4-5,8-12,17H,3,6-7,13-14H2,1H3,(H,19,20)/b4-2-,5-2+,9-4-,10-8+,11-5+,12-8-,15-9-,15-10+,16-11+,16-12+
InChIKeyMXXKGMHAKXTLTI-YPCJYMLLSA-N
MW269.39 g/mol
LogP4.18
Rot. Bonds2

About N-cyclohexyl-5-methylcyclodeca-1,3,5,7,9-pentaene-1-carboxamide

N-cyclohexyl-5-methylcyclodeca-1,3,5,7,9-pentaene-1-carboxamide (PubChem CID 171081015) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-cyclohexyl-5-methylcyclodeca-1,3,5,7,9-pentaene-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-methylcyclodeca-1,3,5,7,9-pentaene-1-carboxamide
PubChem CID171081015
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-cyclohexyl-5-methylcyclodeca-1,3,5,7,9-pentaene-1-carboxamide
SMILESCc1cccccc(C(=O)NC2CCCCC2)ccc1
InChIInChI=1S/C18H23NO/c1-15-9-4-2-5-11-16(12-8-10-15)18(20)19-17-13-6-3-7-14-17/h2,4-5,8-12,17H,3,6-7,13-14H2,1H3,(H,19,20)/b4-2-,5-2+,9-4-,10-8+,11-5+,12-8-,15-9-,15-10+,16-11+,16-12+
InChIKeyMXXKGMHAKXTLTI-YPCJYMLLSA-N
XLogP4.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-methylcyclodeca-1,3,5,7,9-pentaene-1-carboxamide?
The IUPAC name of N-cyclohexyl-5-methylcyclodeca-1,3,5,7,9-pentaene-1-carboxamide (CID 171081015) is N-cyclohexyl-5-methylcyclodeca-1,3,5,7,9-pentaene-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-methylcyclodeca-1,3,5,7,9-pentaene-1-carboxamide?
The canonical SMILES for N-cyclohexyl-5-methylcyclodeca-1,3,5,7,9-pentaene-1-carboxamide is Cc1cccccc(C(=O)NC2CCCCC2)ccc1.
What is the InChIKey of N-cyclohexyl-5-methylcyclodeca-1,3,5,7,9-pentaene-1-carboxamide?
The InChIKey is MXXKGMHAKXTLTI-YPCJYMLLSA-N. The full InChI is InChI=1S/C18H23NO/c1-15-9-4-2-5-11-16(12-8-10-15)18(20)19-17-13-6-3-7-14-17/h2,4-5,8-12,17H,3,6-7,13-14H2,1H3,(H,19,20)/b4-2-,5-2+,9-4-,10-8+,11-5+,12-8-,15-9-,15-10+,16-11+,16-12+.
What are the key properties of N-cyclohexyl-5-methylcyclodeca-1,3,5,7,9-pentaene-1-carboxamide?
N-cyclohexyl-5-methylcyclodeca-1,3,5,7,9-pentaene-1-carboxamide has a molecular weight of 269.39 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-methylcyclodeca-1,3,5,7,9-pentaene-1-carboxamide is sourced from PubChem (CID 171081015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).