N-cyclohexyl-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide

C17H21N3O3 — CID 27670779

IUPACN-cyclohexyl-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
SMILESO=C(NC1CCCCC1)c1ccc(CN2C(=O)CNC2=O)cc1
InChIInChI=1S/C17H21N3O3/c21-15-10-18-17(23)20(15)11-12-6-8-13(9-7-12)16(22)19-14-4-2-1-3-5-14/h6-9,14H,1-5,10-11H2,(H,18,23)(H,19,22)
InChIKeyNVAVJQHMJFAYJG-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.80
Rot. Bonds4

About N-cyclohexyl-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide

N-cyclohexyl-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide (PubChem CID 27670779) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-cyclohexyl-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
PubChem CID27670779
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-cyclohexyl-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
SMILESO=C(NC1CCCCC1)c1ccc(CN2C(=O)CNC2=O)cc1
InChIInChI=1S/C17H21N3O3/c21-15-10-18-17(23)20(15)11-12-6-8-13(9-7-12)16(22)19-14-4-2-1-3-5-14/h6-9,14H,1-5,10-11H2,(H,18,23)(H,19,22)
InChIKeyNVAVJQHMJFAYJG-UHFFFAOYSA-N
XLogP1.80
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 43015464
4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119510545
4-[[(8aS)-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-N-cycloheptylbenzamide
CID 92721591
N-cyclohexyl-4-[(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]benzamide
CID 46272424
4-[[(8aS)-5,8-dioxo-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazin-7-yl]methyl]-N-cycloheptylbenzamide
CID 92722789
N-cyclopentyl-4-(pyrazol-1-ylmethyl)benzamide
CID 18136591
N-cyclopentyl-4-(hydroxymethyl)benzamide
CID 60636896
N-cyclopropyl-4-(piperidin-1-ylmethyl)benzamide
CID 17407709
1-cyclohexyl-3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]urea
CID 110747875
N-cyclopentyl-4-(imidazol-1-ylmethyl)benzamide
CID 43918576
N-cyclooctyl-4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzoxazine-6-carboxamide
CID 53023877
3-[[4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione
CID 32747160

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide?
The IUPAC name of N-cyclohexyl-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide (CID 27670779) is N-cyclohexyl-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-cyclohexyl-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-cyclohexyl-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide is O=C(NC1CCCCC1)c1ccc(CN2C(=O)CNC2=O)cc1.
What is the InChIKey of N-cyclohexyl-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide?
The InChIKey is NVAVJQHMJFAYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c21-15-10-18-17(23)20(15)11-12-6-8-13(9-7-12)16(22)19-14-4-2-1-3-5-14/h6-9,14H,1-5,10-11H2,(H,18,23)(H,19,22).
What are the key properties of N-cyclohexyl-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide?
N-cyclohexyl-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide has a molecular weight of 315.37 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 27670779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).