benzyl N-[1-[(3-methyl-1-oxobutan-2-yl)carbamoyl]cyclohexyl]carbamate

C20H28N2O4 — CID 74341663

IUPACbenzyl N-[1-[(3-methyl-1-oxobutan-2-yl)carbamoyl]cyclohexyl]carbamate
SMILESCC(C)C(C=O)NC(=O)C1(NC(=O)OCc2ccccc2)CCCCC1
InChIInChI=1S/C20H28N2O4/c1-15(2)17(13-23)21-18(24)20(11-7-4-8-12-20)22-19(25)26-14-16-9-5-3-6-10-16/h3,5-6,9-10,13,15,17H,4,7-8,11-12,14H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyFOEXKNOADJXYDM-UHFFFAOYSA-N
MW360.45 g/mol
LogP2.96
Rot. Bonds7

About benzyl N-[1-[(3-methyl-1-oxobutan-2-yl)carbamoyl]cyclohexyl]carbamate

benzyl N-[1-[(3-methyl-1-oxobutan-2-yl)carbamoyl]cyclohexyl]carbamate (PubChem CID 74341663) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is benzyl N-[1-[(3-methyl-1-oxobutan-2-yl)carbamoyl]cyclohexyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-[(3-methyl-1-oxobutan-2-yl)carbamoyl]cyclohexyl]carbamate
PubChem CID74341663
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Namebenzyl N-[1-[(3-methyl-1-oxobutan-2-yl)carbamoyl]cyclohexyl]carbamate
SMILESCC(C)C(C=O)NC(=O)C1(NC(=O)OCc2ccccc2)CCCCC1
InChIInChI=1S/C20H28N2O4/c1-15(2)17(13-23)21-18(24)20(11-7-4-8-12-20)22-19(25)26-14-16-9-5-3-6-10-16/h3,5-6,9-10,13,15,17H,4,7-8,11-12,14H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyFOEXKNOADJXYDM-UHFFFAOYSA-N
XLogP2.96
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-3-methyl-2-[[1-(phenylmethoxycarbonylamino)cyclohexanecarbonyl]amino]butanoic acid
CID 24740123
methyl (2S)-2-[[1-(phenylmethoxycarbonylamino)cycloheptanecarbonyl]amino]propanoate
CID 10690938
(2R)-2-[[1-(phenylmethoxycarbonylamino)cyclopropanecarbonyl]amino]propanoic acid
CID 70234502
furan-2-ylmethyl N-[1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamoyl]cyclohexyl]carbamate;furan-2-ylmethyl N-[1-[[(2S)-3-methyl-1-oxobutan-2-yl]carbamoyl]cyclohexyl]carbamate
CID 161101792
benzyl N-[1-(1-hydroxyhexan-2-ylcarbamoyl)cyclohexyl]carbamate
CID 74341660
2-phenylethyl N-[1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamoyl]cyclohexyl]carbamate
CID 143504553
2-trimethylsilylethyl 1-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylate
CID 23252917
[(Z)-3-[2-[[1-(phenylmethoxycarbonylamino)cyclobutanecarbonyl]amino]phenyl]prop-2-enyl] acetate
CID 101384730
benzyl N-[1-[(3-hydroxypiperidin-4-yl)carbamoyl]cyclohexyl]carbamate;hydrochloride
CID 69314997
(E)-4-[1-(phenylmethoxycarbonylamino)cyclobutyl]but-2-enoic acid
CID 167736065
benzyl N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]-N-tritiocarbamate
CID 91116688
benzyl N-[4-(butan-2-ylcarbamoyl)-1-bicyclo[2.2.2]octanyl]carbamate
CID 141121357

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-[(3-methyl-1-oxobutan-2-yl)carbamoyl]cyclohexyl]carbamate?
The IUPAC name of benzyl N-[1-[(3-methyl-1-oxobutan-2-yl)carbamoyl]cyclohexyl]carbamate (CID 74341663) is benzyl N-[1-[(3-methyl-1-oxobutan-2-yl)carbamoyl]cyclohexyl]carbamate.
What is the SMILES notation for benzyl N-[1-[(3-methyl-1-oxobutan-2-yl)carbamoyl]cyclohexyl]carbamate?
The canonical SMILES for benzyl N-[1-[(3-methyl-1-oxobutan-2-yl)carbamoyl]cyclohexyl]carbamate is CC(C)C(C=O)NC(=O)C1(NC(=O)OCc2ccccc2)CCCCC1.
What is the InChIKey of benzyl N-[1-[(3-methyl-1-oxobutan-2-yl)carbamoyl]cyclohexyl]carbamate?
The InChIKey is FOEXKNOADJXYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-15(2)17(13-23)21-18(24)20(11-7-4-8-12-20)22-19(25)26-14-16-9-5-3-6-10-16/h3,5-6,9-10,13,15,17H,4,7-8,11-12,14H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of benzyl N-[1-[(3-methyl-1-oxobutan-2-yl)carbamoyl]cyclohexyl]carbamate?
benzyl N-[1-[(3-methyl-1-oxobutan-2-yl)carbamoyl]cyclohexyl]carbamate has a molecular weight of 360.45 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-[(3-methyl-1-oxobutan-2-yl)carbamoyl]cyclohexyl]carbamate is sourced from PubChem (CID 74341663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).