N-(4-methylcyclohexyl)-2-oxo-2-[4-[(1Z,3Z)-penta-1,3-dienyl]-1H-pyrrol-3-yl]acetamide

C18H24N2O2 — CID 142231611

IUPACN-(4-methylcyclohexyl)-2-oxo-2-[4-[(1Z,3Z)-penta-1,3-dienyl]-1H-pyrrol-3-yl]acetamide
SMILESC/C=C\C=C/c1c[nH]cc1C(=O)C(=O)NC1CCC(C)CC1
InChIInChI=1S/C18H24N2O2/c1-3-4-5-6-14-11-19-12-16(14)17(21)18(22)20-15-9-7-13(2)8-10-15/h3-6,11-13,15,19H,7-10H2,1-2H3,(H,20,22)/b4-3-,6-5-
InChIKeyFDDFPMHPAXCXKI-OUPQRBNQSA-N
MW300.40 g/mol
LogP3.48
Rot. Bonds5

About N-(4-methylcyclohexyl)-2-oxo-2-[4-[(1Z,3Z)-penta-1,3-dienyl]-1H-pyrrol-3-yl]acetamide

N-(4-methylcyclohexyl)-2-oxo-2-[4-[(1Z,3Z)-penta-1,3-dienyl]-1H-pyrrol-3-yl]acetamide (PubChem CID 142231611) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-2-oxo-2-[4-[(1Z,3Z)-penta-1,3-dienyl]-1H-pyrrol-3-yl]acetamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-2-oxo-2-[4-[(1Z,3Z)-penta-1,3-dienyl]-1H-pyrrol-3-yl]acetamide
PubChem CID142231611
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC NameN-(4-methylcyclohexyl)-2-oxo-2-[4-[(1Z,3Z)-penta-1,3-dienyl]-1H-pyrrol-3-yl]acetamide
SMILESC/C=C\C=C/c1c[nH]cc1C(=O)C(=O)NC1CCC(C)CC1
InChIInChI=1S/C18H24N2O2/c1-3-4-5-6-14-11-19-12-16(14)17(21)18(22)20-15-9-7-13(2)8-10-15/h3-6,11-13,15,19H,7-10H2,1-2H3,(H,20,22)/b4-3-,6-5-
InChIKeyFDDFPMHPAXCXKI-OUPQRBNQSA-N
XLogP3.48
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-(4-methylcyclohexyl)hexa-2,4-dienamide
CID 72689142
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CID 95652956
(2S)-2-hydroxy-N-(4-methylcyclohexyl)propanamide
CID 70253137
N-cyclopropyl-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 113208015
N-cyclopropyl-2-(3,4-dimethylphenyl)-2-oxoacetamide
CID 82113873
N'-(4-ethylphenyl)-N-(4-methylcyclohexyl)oxamide
CID 124506867
4-amino-N-(4-methylcyclohexyl)-1H-pyrrole-2-carboxamide
CID 43642104
1-cyclobutyl-3-(4-methylcyclohexyl)urea
CID 103653458
(1S,6S)-6-[(4-methylcyclohexyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 51427698
3,5-dimethyl-N-(4-methylcyclohexyl)benzamide
CID 26877405
(E)-4-amino-N-(4-methylcyclohexyl)but-2-enamide
CID 130533152
1-(4-hydroxycyclohexyl)-3-(4-methylcyclohexyl)urea
CID 47164010

Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-2-oxo-2-[4-[(1Z,3Z)-penta-1,3-dienyl]-1H-pyrrol-3-yl]acetamide?
The IUPAC name of N-(4-methylcyclohexyl)-2-oxo-2-[4-[(1Z,3Z)-penta-1,3-dienyl]-1H-pyrrol-3-yl]acetamide (CID 142231611) is N-(4-methylcyclohexyl)-2-oxo-2-[4-[(1Z,3Z)-penta-1,3-dienyl]-1H-pyrrol-3-yl]acetamide.
What is the SMILES notation for N-(4-methylcyclohexyl)-2-oxo-2-[4-[(1Z,3Z)-penta-1,3-dienyl]-1H-pyrrol-3-yl]acetamide?
The canonical SMILES for N-(4-methylcyclohexyl)-2-oxo-2-[4-[(1Z,3Z)-penta-1,3-dienyl]-1H-pyrrol-3-yl]acetamide is C/C=C\C=C/c1c[nH]cc1C(=O)C(=O)NC1CCC(C)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)-2-oxo-2-[4-[(1Z,3Z)-penta-1,3-dienyl]-1H-pyrrol-3-yl]acetamide?
The InChIKey is FDDFPMHPAXCXKI-OUPQRBNQSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-3-4-5-6-14-11-19-12-16(14)17(21)18(22)20-15-9-7-13(2)8-10-15/h3-6,11-13,15,19H,7-10H2,1-2H3,(H,20,22)/b4-3-,6-5-.
What are the key properties of N-(4-methylcyclohexyl)-2-oxo-2-[4-[(1Z,3Z)-penta-1,3-dienyl]-1H-pyrrol-3-yl]acetamide?
N-(4-methylcyclohexyl)-2-oxo-2-[4-[(1Z,3Z)-penta-1,3-dienyl]-1H-pyrrol-3-yl]acetamide has a molecular weight of 300.40 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-2-oxo-2-[4-[(1Z,3Z)-penta-1,3-dienyl]-1H-pyrrol-3-yl]acetamide is sourced from PubChem (CID 142231611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).