[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate

C18H25N3O6 — CID 11934497

IUPAC[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate
SMILESC[C@H]1CCCC[C@@H]1NC(=O)COC(=O)CNC(=O)CNC(=O)c1ccco1
InChIInChI=1S/C18H25N3O6/c1-12-5-2-3-6-13(12)21-16(23)11-27-17(24)10-19-15(22)9-20-18(25)14-7-4-8-26-14/h4,7-8,12-13H,2-3,5-6,9-11H2,1H3,(H,19,22)(H,20,25)(H,21,23)/t12-,13-/m0/s1
InChIKeyLNIMOYXMWBLGLZ-STQMWFEESA-N
MW379.41 g/mol
LogP0.36
Rot. Bonds8

About [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate

[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate (PubChem CID 11934497) has the molecular formula C18H25N3O6 and a molecular weight of 379.41 g/mol. Its IUPAC name is [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate.

Molecular Properties

Compound Name[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate
PubChem CID11934497
Molecular FormulaC18H25N3O6
Molecular Weight379.41 g/mol
Exact Mass379.17
IUPAC Name[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate
SMILESC[C@H]1CCCC[C@@H]1NC(=O)COC(=O)CNC(=O)CNC(=O)c1ccco1
InChIInChI=1S/C18H25N3O6/c1-12-5-2-3-6-13(12)21-16(23)11-27-17(24)10-19-15(22)9-20-18(25)14-7-4-8-26-14/h4,7-8,12-13H,2-3,5-6,9-11H2,1H3,(H,19,22)(H,20,25)(H,21,23)/t12-,13-/m0/s1
InChIKeyLNIMOYXMWBLGLZ-STQMWFEESA-N
XLogP0.36
TPSA126.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 9404333
[2-(cyclohexylamino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
CID 7880332
[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 7566447
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-[(2-bromobenzoyl)amino]acetate
CID 8573104
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 7880431
[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]acetate
CID 8573655
[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 46789752
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 7415896
[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 11918477
[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-[(4-propan-2-yloxybenzoyl)amino]acetate
CID 42964960
[2-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-benzamidoacetate
CID 7783372
[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-benzamidoacetate
CID 11915778

Frequently Asked Questions

What is the IUPAC name of [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate?
The IUPAC name of [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate (CID 11934497) is [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate.
What is the SMILES notation for [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate?
The canonical SMILES for [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate is C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)CNC(=O)CNC(=O)c1ccco1.
What is the InChIKey of [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate?
The InChIKey is LNIMOYXMWBLGLZ-STQMWFEESA-N. The full InChI is InChI=1S/C18H25N3O6/c1-12-5-2-3-6-13(12)21-16(23)11-27-17(24)10-19-15(22)9-20-18(25)14-7-4-8-26-14/h4,7-8,12-13H,2-3,5-6,9-11H2,1H3,(H,19,22)(H,20,25)(H,21,23)/t12-,13-/m0/s1.
What are the key properties of [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate?
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate has a molecular weight of 379.41 g/mol, XLogP of 0.36, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate is sourced from PubChem (CID 11934497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).