N-cyclodecyl-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxamide

C22H34N2O3 — CID 138492356

IUPACN-cyclodecyl-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxamide
SMILESO=C(NC1CCCCCCCCC1)C1CCC(CN2C(=O)C=CC2=O)CC1
InChIInChI=1S/C22H34N2O3/c25-20-14-15-21(26)24(20)16-17-10-12-18(13-11-17)22(27)23-19-8-6-4-2-1-3-5-7-9-19/h14-15,17-19H,1-13,16H2,(H,23,27)
InChIKeyAXXWZFAYAYFGRO-UHFFFAOYSA-N
MW374.53 g/mol
LogP3.73
Rot. Bonds4

About N-cyclodecyl-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxamide

N-cyclodecyl-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxamide (PubChem CID 138492356) has the molecular formula C22H34N2O3 and a molecular weight of 374.53 g/mol. Its IUPAC name is N-cyclodecyl-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-cyclodecyl-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxamide
PubChem CID138492356
Molecular FormulaC22H34N2O3
Molecular Weight374.53 g/mol
Exact Mass374.26
IUPAC NameN-cyclodecyl-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxamide
SMILESO=C(NC1CCCCCCCCC1)C1CCC(CN2C(=O)C=CC2=O)CC1
InChIInChI=1S/C22H34N2O3/c25-20-14-15-21(26)24(20)16-17-10-12-18(13-11-17)22(27)23-19-8-6-4-2-1-3-5-7-9-19/h14-15,17-19H,1-13,16H2,(H,23,27)
InChIKeyAXXWZFAYAYFGRO-UHFFFAOYSA-N
XLogP3.73
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carbohydrazide
CID 4200874
1-N,4-N-dicyclohexylcyclohexane-1,4-dicarboxamide
CID 2982201
4-[(2,5-dioxopyrrol-1-yl)methyl]-N-(N'-methylcarbamimidoyl)cyclohexane-1-carboxamide
CID 89404221
bis[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl] carbonate
CID 57225103
N-cycloheptylcycloheptanecarboxamide
CID 129091005
N-cyclodecylcyclododecanecarboxamide
CID 135182352
4-(aminomethyl)-N-cyclopentylcyclohexane-1-carboxamide;hydrochloride
CID 165437685
2-[4-(cyclobutylcarbamoyl)cyclohexyl]acetic acid
CID 115150956
sulfo 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate
CID 54540677
N-cyclopentylcyclobutanecarboxamide
CID 21158774
N-cyclopropylcycloheptanecarboxamide
CID 62778853
N-cyclopropylcyclohexanecarboxamide
CID 3412875

Frequently Asked Questions

What is the IUPAC name of N-cyclodecyl-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of N-cyclodecyl-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxamide (CID 138492356) is N-cyclodecyl-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for N-cyclodecyl-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for N-cyclodecyl-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxamide is O=C(NC1CCCCCCCCC1)C1CCC(CN2C(=O)C=CC2=O)CC1.
What is the InChIKey of N-cyclodecyl-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxamide?
The InChIKey is AXXWZFAYAYFGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O3/c25-20-14-15-21(26)24(20)16-17-10-12-18(13-11-17)22(27)23-19-8-6-4-2-1-3-5-7-9-19/h14-15,17-19H,1-13,16H2,(H,23,27).
What are the key properties of N-cyclodecyl-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxamide?
N-cyclodecyl-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxamide has a molecular weight of 374.53 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclodecyl-4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 138492356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).