furan-2-ylmethyl 1-[[3,3-dimethyl-1-(2-methylpyrrolidin-1-yl)-1-oxobutan-2-yl]carbamoylamino]cyclohexane-1-carboxylate

C24H37N3O5 — CID 143101772

IUPACfuran-2-ylmethyl 1-[[3,3-dimethyl-1-(2-methylpyrrolidin-1-yl)-1-oxobutan-2-yl]carbamoylamino]cyclohexane-1-carboxylate
SMILESCC1CCCN1C(=O)C(NC(=O)NC1(C(=O)OCc2ccco2)CCCCC1)C(C)(C)C
InChIInChI=1S/C24H37N3O5/c1-17-10-8-14-27(17)20(28)19(23(2,3)4)25-22(30)26-24(12-6-5-7-13-24)21(29)32-16-18-11-9-15-31-18/h9,11,15,17,19H,5-8,10,12-14,16H2,1-4H3,(H2,25,26,30)
InChIKeyFONLDVDAWSJQQP-UHFFFAOYSA-N
MW447.58 g/mol
LogP3.75
Rot. Bonds6

About furan-2-ylmethyl 1-[[3,3-dimethyl-1-(2-methylpyrrolidin-1-yl)-1-oxobutan-2-yl]carbamoylamino]cyclohexane-1-carboxylate

furan-2-ylmethyl 1-[[3,3-dimethyl-1-(2-methylpyrrolidin-1-yl)-1-oxobutan-2-yl]carbamoylamino]cyclohexane-1-carboxylate (PubChem CID 143101772) has the molecular formula C24H37N3O5 and a molecular weight of 447.58 g/mol. Its IUPAC name is furan-2-ylmethyl 1-[[3,3-dimethyl-1-(2-methylpyrrolidin-1-yl)-1-oxobutan-2-yl]carbamoylamino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namefuran-2-ylmethyl 1-[[3,3-dimethyl-1-(2-methylpyrrolidin-1-yl)-1-oxobutan-2-yl]carbamoylamino]cyclohexane-1-carboxylate
PubChem CID143101772
Molecular FormulaC24H37N3O5
Molecular Weight447.58 g/mol
Exact Mass447.27
IUPAC Namefuran-2-ylmethyl 1-[[3,3-dimethyl-1-(2-methylpyrrolidin-1-yl)-1-oxobutan-2-yl]carbamoylamino]cyclohexane-1-carboxylate
SMILESCC1CCCN1C(=O)C(NC(=O)NC1(C(=O)OCc2ccco2)CCCCC1)C(C)(C)C
InChIInChI=1S/C24H37N3O5/c1-17-10-8-14-27(17)20(28)19(23(2,3)4)25-22(30)26-24(12-6-5-7-13-24)21(29)32-16-18-11-9-15-31-18/h9,11,15,17,19H,5-8,10,12-14,16H2,1-4H3,(H2,25,26,30)
InChIKeyFONLDVDAWSJQQP-UHFFFAOYSA-N
XLogP3.75
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

furan-2-ylmethyl 1-[[(2S)-1-[(2S,3R)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-3-propan-2-ylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]cyclohexane-1-carboxylate
CID 143360384
benzyl 1-[[1-[2-[[3,4-dioxo-4-(prop-2-enylamino)butan-2-yl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]cyclohexane-1-carboxylate;propane
CID 143101754
1-(furan-2-ylmethoxycarbonylamino)cyclohexane-1-carboxylic acid;methyl 1-(furan-2-ylmethoxycarbonylamino)cyclohexane-1-carboxylate
CID 158095708
1-[1-[[(2-tert-butyl-3,4-dioxocyclobuten-1-yl)amino]methyl]cyclohexyl]-3-[3,3-dimethyl-1-(2-methylpyrrolidin-1-yl)-1-oxobutan-2-yl]urea
CID 143101488
ethane;furan-2-ylmethyl 2-[[1-[(2S)-2-[(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]propanoate;propane
CID 143360336
N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[2-[[1-(benzylcarbamoyl)cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide
CID 143102508
N-(4-amino-1-cyclopropyl-3-methylidenepent-4-en-2-yl)-1-[3,3-dimethyl-2-[[1-(1-phenylmethoxyethenyl)cyclohexyl]carbamoylamino]butanoyl]pyrrolidine-2-carboxamide
CID 143101891
ethane;[(Z,2E)-2-ethylidenepent-3-enyl] 1-[[1-[2-[(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]cyclohexane-1-carboxylate
CID 143359241
benzyl N-[(2S)-1-[(2S)-2-formylpyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 88871264
3,3-dimethyl-2-(methylamino)-1-(2-methylpyrrolidin-1-yl)butan-1-one
CID 21057232
cyclopropylmethyl 2-[[3,3-dimethyl-1-(2-methylpyrrolidin-1-yl)-1-oxobutan-2-yl]carbamoylamino]-3-ethylpentanoate
CID 143102317
(1-oxidopyridin-1-ium-4-yl)methyl 1-[[(2S)-1-[(1R,2S,5S)-2-[(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]cyclohexane-1-carboxylate
CID 58846355

Frequently Asked Questions

What is the IUPAC name of furan-2-ylmethyl 1-[[3,3-dimethyl-1-(2-methylpyrrolidin-1-yl)-1-oxobutan-2-yl]carbamoylamino]cyclohexane-1-carboxylate?
The IUPAC name of furan-2-ylmethyl 1-[[3,3-dimethyl-1-(2-methylpyrrolidin-1-yl)-1-oxobutan-2-yl]carbamoylamino]cyclohexane-1-carboxylate (CID 143101772) is furan-2-ylmethyl 1-[[3,3-dimethyl-1-(2-methylpyrrolidin-1-yl)-1-oxobutan-2-yl]carbamoylamino]cyclohexane-1-carboxylate.
What is the SMILES notation for furan-2-ylmethyl 1-[[3,3-dimethyl-1-(2-methylpyrrolidin-1-yl)-1-oxobutan-2-yl]carbamoylamino]cyclohexane-1-carboxylate?
The canonical SMILES for furan-2-ylmethyl 1-[[3,3-dimethyl-1-(2-methylpyrrolidin-1-yl)-1-oxobutan-2-yl]carbamoylamino]cyclohexane-1-carboxylate is CC1CCCN1C(=O)C(NC(=O)NC1(C(=O)OCc2ccco2)CCCCC1)C(C)(C)C.
What is the InChIKey of furan-2-ylmethyl 1-[[3,3-dimethyl-1-(2-methylpyrrolidin-1-yl)-1-oxobutan-2-yl]carbamoylamino]cyclohexane-1-carboxylate?
The InChIKey is FONLDVDAWSJQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O5/c1-17-10-8-14-27(17)20(28)19(23(2,3)4)25-22(30)26-24(12-6-5-7-13-24)21(29)32-16-18-11-9-15-31-18/h9,11,15,17,19H,5-8,10,12-14,16H2,1-4H3,(H2,25,26,30).
What are the key properties of furan-2-ylmethyl 1-[[3,3-dimethyl-1-(2-methylpyrrolidin-1-yl)-1-oxobutan-2-yl]carbamoylamino]cyclohexane-1-carboxylate?
furan-2-ylmethyl 1-[[3,3-dimethyl-1-(2-methylpyrrolidin-1-yl)-1-oxobutan-2-yl]carbamoylamino]cyclohexane-1-carboxylate has a molecular weight of 447.58 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-ylmethyl 1-[[3,3-dimethyl-1-(2-methylpyrrolidin-1-yl)-1-oxobutan-2-yl]carbamoylamino]cyclohexane-1-carboxylate is sourced from PubChem (CID 143101772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).