[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] 3-(furan-2-carbonylamino)-4-methylbenzoate

C22H26N2O5 — CID 7448655

IUPAC[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] 3-(furan-2-carbonylamino)-4-methylbenzoate
SMILESCc1ccc(C(=O)O[C@@H](C)C(=O)NC2CCCCC2)cc1NC(=O)c1ccco1
InChIInChI=1S/C22H26N2O5/c1-14-10-11-16(13-18(14)24-21(26)19-9-6-12-28-19)22(27)29-15(2)20(25)23-17-7-4-3-5-8-17/h6,9-13,15,17H,3-5,7-8H2,1-2H3,(H,23,25)(H,24,26)/t15-/m0/s1
InChIKeyCKPHRZKWOKZPOT-HNNXBMFYSA-N
MW398.46 g/mol
LogP3.83
Rot. Bonds6

About [(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] 3-(furan-2-carbonylamino)-4-methylbenzoate

[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] 3-(furan-2-carbonylamino)-4-methylbenzoate (PubChem CID 7448655) has the molecular formula C22H26N2O5 and a molecular weight of 398.46 g/mol. Its IUPAC name is [(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] 3-(furan-2-carbonylamino)-4-methylbenzoate.

Molecular Properties

Compound Name[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] 3-(furan-2-carbonylamino)-4-methylbenzoate
PubChem CID7448655
Molecular FormulaC22H26N2O5
Molecular Weight398.46 g/mol
Exact Mass398.18
IUPAC Name[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] 3-(furan-2-carbonylamino)-4-methylbenzoate
SMILESCc1ccc(C(=O)O[C@@H](C)C(=O)NC2CCCCC2)cc1NC(=O)c1ccco1
InChIInChI=1S/C22H26N2O5/c1-14-10-11-16(13-18(14)24-21(26)19-9-6-12-28-19)22(27)29-15(2)20(25)23-17-7-4-3-5-8-17/h6,9-13,15,17H,3-5,7-8H2,1-2H3,(H,23,25)(H,24,26)/t15-/m0/s1
InChIKeyCKPHRZKWOKZPOT-HNNXBMFYSA-N
XLogP3.83
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] 3-(furan-2-carbonylamino)-4-methylbenzoate with MolForge

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Related Compounds

[(2R)-1-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 11939063
[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] furan-2-carboxylate
CID 1469985
[(1R)-1-cyanoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 2605458
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
[2-(cyclohexanecarbonylamino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 55318368
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-fluoro-4-methylbenzoate
CID 9386869
(2-oxo-2-propan-2-yloxyethyl) 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 24557608
[1-(cyclopentylamino)-1-oxopropan-2-yl] 4-amino-3-methylbenzoate
CID 61322016
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 2605528
N-cyclooctylfuran-2-carboxamide
CID 790432
N-[2-methyl-5-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 6459657

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] 3-(furan-2-carbonylamino)-4-methylbenzoate?
The IUPAC name of [(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] 3-(furan-2-carbonylamino)-4-methylbenzoate (CID 7448655) is [(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] 3-(furan-2-carbonylamino)-4-methylbenzoate.
What is the SMILES notation for [(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] 3-(furan-2-carbonylamino)-4-methylbenzoate?
The canonical SMILES for [(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] 3-(furan-2-carbonylamino)-4-methylbenzoate is Cc1ccc(C(=O)O[C@@H](C)C(=O)NC2CCCCC2)cc1NC(=O)c1ccco1.
What is the InChIKey of [(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] 3-(furan-2-carbonylamino)-4-methylbenzoate?
The InChIKey is CKPHRZKWOKZPOT-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H26N2O5/c1-14-10-11-16(13-18(14)24-21(26)19-9-6-12-28-19)22(27)29-15(2)20(25)23-17-7-4-3-5-8-17/h6,9-13,15,17H,3-5,7-8H2,1-2H3,(H,23,25)(H,24,26)/t15-/m0/s1.
What are the key properties of [(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] 3-(furan-2-carbonylamino)-4-methylbenzoate?
[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] 3-(furan-2-carbonylamino)-4-methylbenzoate has a molecular weight of 398.46 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] 3-(furan-2-carbonylamino)-4-methylbenzoate is sourced from PubChem (CID 7448655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).