methyl 1-[[3-(furan-2-carbonylamino)-4-methylbenzoyl]amino]cyclohexane-1-carboxylate

C21H24N2O5 — CID 30373031

IUPACmethyl 1-[[3-(furan-2-carbonylamino)-4-methylbenzoyl]amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)CCCCC1
InChIInChI=1S/C21H24N2O5/c1-14-8-9-15(13-16(14)22-19(25)17-7-6-12-28-17)18(24)23-21(20(26)27-2)10-4-3-5-11-21/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyMRZSGOCAXYVUDY-UHFFFAOYSA-N
MW384.43 g/mol
LogP3.45
Rot. Bonds5

About methyl 1-[[3-(furan-2-carbonylamino)-4-methylbenzoyl]amino]cyclohexane-1-carboxylate

methyl 1-[[3-(furan-2-carbonylamino)-4-methylbenzoyl]amino]cyclohexane-1-carboxylate (PubChem CID 30373031) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is methyl 1-[[3-(furan-2-carbonylamino)-4-methylbenzoyl]amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[3-(furan-2-carbonylamino)-4-methylbenzoyl]amino]cyclohexane-1-carboxylate
PubChem CID30373031
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Namemethyl 1-[[3-(furan-2-carbonylamino)-4-methylbenzoyl]amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)CCCCC1
InChIInChI=1S/C21H24N2O5/c1-14-8-9-15(13-16(14)22-19(25)17-7-6-12-28-17)18(24)23-21(20(26)27-2)10-4-3-5-11-21/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyMRZSGOCAXYVUDY-UHFFFAOYSA-N
XLogP3.45
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-methyl-5-[(1-phenylcyclobutyl)carbamoyl]phenyl]furan-2-carboxamide
CID 51273057
1-[[3-(furan-2-carbonylamino)-4-methylbenzoyl]-methylamino]cyclohexane-1-carboxylic acid
CID 120539605
N-[2-methyl-5-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 6459657
N-[2-methyl-5-[(1-phenylcyclopentyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 24571372
N-[5-[methoxy(methyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 51148992
N-[5-[(2-amino-2-methylpropyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 119625719
N-[5-[(4-aminocyclohexyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 119474347
N-[5-[[(2R,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 41409796
N-[2-methyl-5-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoyl]phenyl]furan-2-carboxamide
CID 18157076
(2-amino-2-oxoethyl) 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 2605474
N-[5-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 26665761
[(1R)-1-cyanoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 2605458

Frequently Asked Questions

What is the IUPAC name of methyl 1-[[3-(furan-2-carbonylamino)-4-methylbenzoyl]amino]cyclohexane-1-carboxylate?
The IUPAC name of methyl 1-[[3-(furan-2-carbonylamino)-4-methylbenzoyl]amino]cyclohexane-1-carboxylate (CID 30373031) is methyl 1-[[3-(furan-2-carbonylamino)-4-methylbenzoyl]amino]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-[[3-(furan-2-carbonylamino)-4-methylbenzoyl]amino]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-[[3-(furan-2-carbonylamino)-4-methylbenzoyl]amino]cyclohexane-1-carboxylate is COC(=O)C1(NC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)CCCCC1.
What is the InChIKey of methyl 1-[[3-(furan-2-carbonylamino)-4-methylbenzoyl]amino]cyclohexane-1-carboxylate?
The InChIKey is MRZSGOCAXYVUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-14-8-9-15(13-16(14)22-19(25)17-7-6-12-28-17)18(24)23-21(20(26)27-2)10-4-3-5-11-21/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of methyl 1-[[3-(furan-2-carbonylamino)-4-methylbenzoyl]amino]cyclohexane-1-carboxylate?
methyl 1-[[3-(furan-2-carbonylamino)-4-methylbenzoyl]amino]cyclohexane-1-carboxylate has a molecular weight of 384.43 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[3-(furan-2-carbonylamino)-4-methylbenzoyl]amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 30373031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).