N-(cyclohexen-1-ylmethyl)-2-[(4R)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]acetamide

C14H21N3O3 — CID 95502097

IUPACN-(cyclohexen-1-ylmethyl)-2-[(4R)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]acetamide
SMILESCN1C(=O)[C@@H](CC(=O)NCC2=CCCCC2)N(C)C1=O
InChIInChI=1S/C14H21N3O3/c1-16-11(13(19)17(2)14(16)20)8-12(18)15-9-10-6-4-3-5-7-10/h6,11H,3-5,7-9H2,1-2H3,(H,15,18)/t11-/m1/s1
InChIKeyWODAFEXGLOKEIX-LLVKDONJSA-N
MW279.34 g/mol
LogP0.89
Rot. Bonds4

About N-(cyclohexen-1-ylmethyl)-2-[(4R)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]acetamide

N-(cyclohexen-1-ylmethyl)-2-[(4R)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]acetamide (PubChem CID 95502097) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(cyclohexen-1-ylmethyl)-2-[(4R)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(cyclohexen-1-ylmethyl)-2-[(4R)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]acetamide
PubChem CID95502097
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-(cyclohexen-1-ylmethyl)-2-[(4R)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]acetamide
SMILESCN1C(=O)[C@@H](CC(=O)NCC2=CCCCC2)N(C)C1=O
InChIInChI=1S/C14H21N3O3/c1-16-11(13(19)17(2)14(16)20)8-12(18)15-9-10-6-4-3-5-7-10/h6,11H,3-5,7-9H2,1-2H3,(H,15,18)/t11-/m1/s1
InChIKeyWODAFEXGLOKEIX-LLVKDONJSA-N
XLogP0.89
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(cyclohexen-1-ylmethyl)-2-[(4R)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]acetamide with MolForge

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Related Compounds

1-(cyclohexen-1-ylmethyl)-3-(1-methyl-2,6-dioxopiperidin-3-yl)urea
CID 128907850
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N-(cyclohexen-1-ylmethyl)-2-[(2S)-1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
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2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide
CID 97118509
2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
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N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-[(4R)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]acetamide
CID 97154090
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cyclopenten-1-ylmethylcarbamic acid;N,N-diethylethanamine
CID 170316861
N-(cyclohexen-1-ylmethyl)-3-(4-methoxy-3-methylphenyl)propanamide
CID 100542510
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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexen-1-ylmethyl)-2-[(4R)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]acetamide?
The IUPAC name of N-(cyclohexen-1-ylmethyl)-2-[(4R)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]acetamide (CID 95502097) is N-(cyclohexen-1-ylmethyl)-2-[(4R)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]acetamide.
What is the SMILES notation for N-(cyclohexen-1-ylmethyl)-2-[(4R)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]acetamide?
The canonical SMILES for N-(cyclohexen-1-ylmethyl)-2-[(4R)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]acetamide is CN1C(=O)[C@@H](CC(=O)NCC2=CCCCC2)N(C)C1=O.
What is the InChIKey of N-(cyclohexen-1-ylmethyl)-2-[(4R)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]acetamide?
The InChIKey is WODAFEXGLOKEIX-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-16-11(13(19)17(2)14(16)20)8-12(18)15-9-10-6-4-3-5-7-10/h6,11H,3-5,7-9H2,1-2H3,(H,15,18)/t11-/m1/s1.
What are the key properties of N-(cyclohexen-1-ylmethyl)-2-[(4R)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]acetamide?
N-(cyclohexen-1-ylmethyl)-2-[(4R)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]acetamide has a molecular weight of 279.34 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexen-1-ylmethyl)-2-[(4R)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]acetamide is sourced from PubChem (CID 95502097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).