ethyl 2-[1-[[(2R)-2-(4-methylphenyl)pyrrolidine-1-carbonyl]amino]cyclohexyl]acetate

C22H32N2O3 — CID 93072962

IUPACethyl 2-[1-[[(2R)-2-(4-methylphenyl)pyrrolidine-1-carbonyl]amino]cyclohexyl]acetate
SMILESCCOC(=O)CC1(NC(=O)N2CCC[C@@H]2c2ccc(C)cc2)CCCCC1
InChIInChI=1S/C22H32N2O3/c1-3-27-20(25)16-22(13-5-4-6-14-22)23-21(26)24-15-7-8-19(24)18-11-9-17(2)10-12-18/h9-12,19H,3-8,13-16H2,1-2H3,(H,23,26)/t19-/m1/s1
InChIKeyBBKMMXYREFWZTH-LJQANCHMSA-N
MW372.51 g/mol
LogP4.50
Rot. Bonds5

About ethyl 2-[1-[[(2R)-2-(4-methylphenyl)pyrrolidine-1-carbonyl]amino]cyclohexyl]acetate

ethyl 2-[1-[[(2R)-2-(4-methylphenyl)pyrrolidine-1-carbonyl]amino]cyclohexyl]acetate (PubChem CID 93072962) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is ethyl 2-[1-[[(2R)-2-(4-methylphenyl)pyrrolidine-1-carbonyl]amino]cyclohexyl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-[[(2R)-2-(4-methylphenyl)pyrrolidine-1-carbonyl]amino]cyclohexyl]acetate
PubChem CID93072962
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC Nameethyl 2-[1-[[(2R)-2-(4-methylphenyl)pyrrolidine-1-carbonyl]amino]cyclohexyl]acetate
SMILESCCOC(=O)CC1(NC(=O)N2CCC[C@@H]2c2ccc(C)cc2)CCCCC1
InChIInChI=1S/C22H32N2O3/c1-3-27-20(25)16-22(13-5-4-6-14-22)23-21(26)24-15-7-8-19(24)18-11-9-17(2)10-12-18/h9-12,19H,3-8,13-16H2,1-2H3,(H,23,26)/t19-/m1/s1
InChIKeyBBKMMXYREFWZTH-LJQANCHMSA-N
XLogP4.50
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 2-[1-[[(2R)-2-(4-methylphenyl)pyrrolidine-1-carbonyl]amino]cyclohexyl]acetate with MolForge

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Related Compounds

ethyl 2-[1-[[(2S)-2-(3-methylphenyl)pyrrolidine-1-carbonyl]amino]cyclohexyl]acetate
CID 94080920
ethyl 2-[1-[[(2S)-2-(2-chlorophenyl)pyrrolidine-1-carbonyl]amino]cyclohexyl]acetate
CID 94081052
ethyl 2-[1-[[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]amino]cyclohexyl]acetate
CID 93070371
ethyl 2-[4-[[2-(4-methylphenyl)azepane-1-carbonyl]amino]phenyl]acetate
CID 47002038
ethyl 2-[4-[[(2R)-2-(4-methylphenyl)azepane-1-carbonyl]amino]phenyl]acetate
CID 93076746
(2S)-N-(4-ethoxyphenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51855939
2-(4-methylphenyl)pyrrolidine-1-carbothioic S-acid
CID 176933057
N-(4-ethoxyphenyl)-2-(4-methylphenyl)azepane-1-carboxamide
CID 53096328
ethyl 2-[[(2R)-2-(5-methylthiophen-2-yl)azepane-1-carbonyl]amino]acetate
CID 92503186
3-amino-1-[2-(4-methylphenyl)pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 119704820
4-[[2-(4-methylphenyl)pyrrolidine-1-carbonyl]amino]butanoic acid
CID 122021682
ethyl 2-[1-[[4-(4-methylphenyl)-7-thia-2,3,5,10-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5-triene-10-carbonyl]amino]cyclohexyl]acetate
CID 53080070

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-[[(2R)-2-(4-methylphenyl)pyrrolidine-1-carbonyl]amino]cyclohexyl]acetate?
The IUPAC name of ethyl 2-[1-[[(2R)-2-(4-methylphenyl)pyrrolidine-1-carbonyl]amino]cyclohexyl]acetate (CID 93072962) is ethyl 2-[1-[[(2R)-2-(4-methylphenyl)pyrrolidine-1-carbonyl]amino]cyclohexyl]acetate.
What is the SMILES notation for ethyl 2-[1-[[(2R)-2-(4-methylphenyl)pyrrolidine-1-carbonyl]amino]cyclohexyl]acetate?
The canonical SMILES for ethyl 2-[1-[[(2R)-2-(4-methylphenyl)pyrrolidine-1-carbonyl]amino]cyclohexyl]acetate is CCOC(=O)CC1(NC(=O)N2CCC[C@@H]2c2ccc(C)cc2)CCCCC1.
What is the InChIKey of ethyl 2-[1-[[(2R)-2-(4-methylphenyl)pyrrolidine-1-carbonyl]amino]cyclohexyl]acetate?
The InChIKey is BBKMMXYREFWZTH-LJQANCHMSA-N. The full InChI is InChI=1S/C22H32N2O3/c1-3-27-20(25)16-22(13-5-4-6-14-22)23-21(26)24-15-7-8-19(24)18-11-9-17(2)10-12-18/h9-12,19H,3-8,13-16H2,1-2H3,(H,23,26)/t19-/m1/s1.
What are the key properties of ethyl 2-[1-[[(2R)-2-(4-methylphenyl)pyrrolidine-1-carbonyl]amino]cyclohexyl]acetate?
ethyl 2-[1-[[(2R)-2-(4-methylphenyl)pyrrolidine-1-carbonyl]amino]cyclohexyl]acetate has a molecular weight of 372.51 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-[[(2R)-2-(4-methylphenyl)pyrrolidine-1-carbonyl]amino]cyclohexyl]acetate is sourced from PubChem (CID 93072962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).