N-[(1R,2R)-2-[[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]carbamoylamino]cyclohexyl]benzamide

C25H29N5O4 — CID 166355340

IUPACN-[(1R,2R)-2-[[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]carbamoylamino]cyclohexyl]benzamide
SMILESCC1(C)NC(=O)N(c2cccc(NC(=O)N[C@@H]3CCCC[C@H]3NC(=O)c3ccccc3)c2)C1=O
InChIInChI=1S/C25H29N5O4/c1-25(2)22(32)30(24(34)29-25)18-12-8-11-17(15-18)26-23(33)28-20-14-7-6-13-19(20)27-21(31)16-9-4-3-5-10-16/h3-5,8-12,15,19-20H,6-7,13-14H2,1-2H3,(H,27,31)(H,29,34)(H2,26,28,33)/t19-,20-/m1/s1
InChIKeyQMXDGIJBPYJIEW-WOJBJXKFSA-N
MW463.54 g/mol
LogP3.38
Rot. Bonds5

About N-[(1R,2R)-2-[[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]carbamoylamino]cyclohexyl]benzamide

N-[(1R,2R)-2-[[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]carbamoylamino]cyclohexyl]benzamide (PubChem CID 166355340) has the molecular formula C25H29N5O4 and a molecular weight of 463.54 g/mol. Its IUPAC name is N-[(1R,2R)-2-[[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]carbamoylamino]cyclohexyl]benzamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-[[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]carbamoylamino]cyclohexyl]benzamide
PubChem CID166355340
Molecular FormulaC25H29N5O4
Molecular Weight463.54 g/mol
Exact Mass463.22
IUPAC NameN-[(1R,2R)-2-[[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]carbamoylamino]cyclohexyl]benzamide
SMILESCC1(C)NC(=O)N(c2cccc(NC(=O)N[C@@H]3CCCC[C@H]3NC(=O)c3ccccc3)c2)C1=O
InChIInChI=1S/C25H29N5O4/c1-25(2)22(32)30(24(34)29-25)18-12-8-11-17(15-18)26-23(33)28-20-14-7-6-13-19(20)27-21(31)16-9-4-3-5-10-16/h3-5,8-12,15,19-20H,6-7,13-14H2,1-2H3,(H,27,31)(H,29,34)(H2,26,28,33)/t19-,20-/m1/s1
InChIKeyQMXDGIJBPYJIEW-WOJBJXKFSA-N
XLogP3.38
TPSA119.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 53.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]carbamoylamino]acetamide
CID 166355345
1-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-3-(3-pyrazol-1-ylphenyl)urea
CID 96525270
1-[(1S,2R)-2-(hydroxymethyl)cyclohexyl]-3-(3-pyrazol-1-ylphenyl)urea
CID 96525273
N-(2-benzamidocyclobutyl)benzamide
CID 58037122
3-(cyclopropylcarbamoylamino)-N-(2-methylpiperidin-3-yl)benzamide
CID 120574123
N-[(1R)-2-methylcyclohexyl]benzamide
CID 137472316
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]butanamide
CID 166355327
N-[3-[(1S,2S,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]phenyl]benzamide
CID 1216930
N-[3-[(1S,2S,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]phenyl]benzamide
CID 23306487
N-[3-[(1S,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]phenyl]benzamide
CID 7117751
1-[3-(trifluoromethyl)phenyl]-3-[(1S,2S)-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]cyclohexyl]urea
CID 25360659
3-methyl-N-[(1R,2R)-2-[(3-methylbenzoyl)amino]cyclohexyl]benzamide
CID 1011123

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-[[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]carbamoylamino]cyclohexyl]benzamide?
The IUPAC name of N-[(1R,2R)-2-[[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]carbamoylamino]cyclohexyl]benzamide (CID 166355340) is N-[(1R,2R)-2-[[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]carbamoylamino]cyclohexyl]benzamide.
What is the SMILES notation for N-[(1R,2R)-2-[[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]carbamoylamino]cyclohexyl]benzamide?
The canonical SMILES for N-[(1R,2R)-2-[[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]carbamoylamino]cyclohexyl]benzamide is CC1(C)NC(=O)N(c2cccc(NC(=O)N[C@@H]3CCCC[C@H]3NC(=O)c3ccccc3)c2)C1=O.
What is the InChIKey of N-[(1R,2R)-2-[[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]carbamoylamino]cyclohexyl]benzamide?
The InChIKey is QMXDGIJBPYJIEW-WOJBJXKFSA-N. The full InChI is InChI=1S/C25H29N5O4/c1-25(2)22(32)30(24(34)29-25)18-12-8-11-17(15-18)26-23(33)28-20-14-7-6-13-19(20)27-21(31)16-9-4-3-5-10-16/h3-5,8-12,15,19-20H,6-7,13-14H2,1-2H3,(H,27,31)(H,29,34)(H2,26,28,33)/t19-,20-/m1/s1.
What are the key properties of N-[(1R,2R)-2-[[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]carbamoylamino]cyclohexyl]benzamide?
N-[(1R,2R)-2-[[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]carbamoylamino]cyclohexyl]benzamide has a molecular weight of 463.54 g/mol, XLogP of 3.38, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-[[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)phenyl]carbamoylamino]cyclohexyl]benzamide is sourced from PubChem (CID 166355340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).