N-(4-methylcyclohexyl)cyclohexa-1,3-diene-1-carboxamide

C14H21NO — CID 123250994

IUPACN-(4-methylcyclohexyl)cyclohexa-1,3-diene-1-carboxamide
SMILESCC1CCC(NC(=O)C2=CC=CCC2)CC1
InChIInChI=1S/C14H21NO/c1-11-7-9-13(10-8-11)15-14(16)12-5-3-2-4-6-12/h2-3,5,11,13H,4,6-10H2,1H3,(H,15,16)
InChIKeyKNUUWTFUICKSGQ-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.96
Rot. Bonds2

About N-(4-methylcyclohexyl)cyclohexa-1,3-diene-1-carboxamide

N-(4-methylcyclohexyl)cyclohexa-1,3-diene-1-carboxamide (PubChem CID 123250994) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)cyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)cyclohexa-1,3-diene-1-carboxamide
PubChem CID123250994
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-(4-methylcyclohexyl)cyclohexa-1,3-diene-1-carboxamide
SMILESCC1CCC(NC(=O)C2=CC=CCC2)CC1
InChIInChI=1S/C14H21NO/c1-11-7-9-13(10-8-11)15-14(16)12-5-3-2-4-6-12/h2-3,5,11,13H,4,6-10H2,1H3,(H,15,16)
InChIKeyKNUUWTFUICKSGQ-UHFFFAOYSA-N
XLogP2.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,5-dimethyl-N-(4-methylcyclohexyl)benzamide
CID 26877405
4-(chloromethyl)-N-(4-methylcyclohexyl)benzamide
CID 43333286
4-(acetamidomethyl)-N-(4-methylcyclohexyl)benzamide
CID 17431349
1-methyl-N-(4-methylcyclohexyl)pyrazole-4-carboxamide
CID 4712824
N-(4-methylcyclohexyl)-4H-pyran-2-carboxamide
CID 142231445
3-hydroxy-4-iodo-N-(4-methylcyclohexyl)benzamide
CID 113434643
4-(cyclopropanecarbonylamino)-N-(4-methylcyclohexyl)benzamide
CID 39031356
3,5-dichloro-4-methoxy-N-(4-methylcyclohexyl)benzamide
CID 46612296
3,5-diamino-N-(3-methylcyclopentyl)benzamide
CID 114542578
carbon monoxide;1-cyclohexa-1,3-dien-1-ylethanone;iron
CID 11043549
N-(4-methylcyclohexyl)-4-propan-2-ylsulfonylbenzamide
CID 46485032
4,6-dichloro-N-(4-methylcyclohexyl)pyridine-3-carboxamide
CID 159995696

Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)cyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of N-(4-methylcyclohexyl)cyclohexa-1,3-diene-1-carboxamide (CID 123250994) is N-(4-methylcyclohexyl)cyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for N-(4-methylcyclohexyl)cyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for N-(4-methylcyclohexyl)cyclohexa-1,3-diene-1-carboxamide is CC1CCC(NC(=O)C2=CC=CCC2)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)cyclohexa-1,3-diene-1-carboxamide?
The InChIKey is KNUUWTFUICKSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11-7-9-13(10-8-11)15-14(16)12-5-3-2-4-6-12/h2-3,5,11,13H,4,6-10H2,1H3,(H,15,16).
What are the key properties of N-(4-methylcyclohexyl)cyclohexa-1,3-diene-1-carboxamide?
N-(4-methylcyclohexyl)cyclohexa-1,3-diene-1-carboxamide has a molecular weight of 219.33 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)cyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 123250994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).