[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethylbenzoate

C19H26N2O4 — CID 7749163

IUPAC[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethylbenzoate
SMILESCc1cc(C)cc(C(=O)O[C@@H](C)C(=O)NC(=O)NC2CCCCC2)c1
InChIInChI=1S/C19H26N2O4/c1-12-9-13(2)11-15(10-12)18(23)25-14(3)17(22)21-19(24)20-16-7-5-4-6-8-16/h9-11,14,16H,4-8H2,1-3H3,(H2,20,21,22,24)/t14-/m0/s1
InChIKeyCVXSQDRVPNEIMT-AWEZNQCLSA-N
MW346.43 g/mol
LogP3.01
Rot. Bonds4

About [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethylbenzoate

[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethylbenzoate (PubChem CID 7749163) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethylbenzoate.

Molecular Properties

Compound Name[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethylbenzoate
PubChem CID7749163
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethylbenzoate
SMILESCc1cc(C)cc(C(=O)O[C@@H](C)C(=O)NC(=O)NC2CCCCC2)c1
InChIInChI=1S/C19H26N2O4/c1-12-9-13(2)11-15(10-12)18(23)25-14(3)17(22)21-19(24)20-16-7-5-4-6-8-16/h9-11,14,16H,4-8H2,1-3H3,(H2,20,21,22,24)/t14-/m0/s1
InChIKeyCVXSQDRVPNEIMT-AWEZNQCLSA-N
XLogP3.01
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethylbenzoate with MolForge

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Related Compounds

[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[(3,5-dimethylbenzoyl)amino]acetate
CID 46617772
[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3,4-dimethyl-5-sulfamoylbenzoate
CID 46812265
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] naphthalene-2-carboxylate
CID 40616563
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 4-(4-hydroxyphenyl)benzoate
CID 7133587
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 5,6-dichloropyridine-3-carboxylate
CID 8021667
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2,5-dimethylfuran-3-carboxylate
CID 7844460
[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 4-(methoxymethyl)benzoate
CID 55358871
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-(trifluoromethyl)benzoate
CID 7506538
[(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 4-cyanobenzoate
CID 26761509
[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-methylthiophene-2-carboxylate
CID 46790726
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 4-propoxybenzoate
CID 7211747
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 4-butoxybenzoate
CID 7844796

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethylbenzoate?
The IUPAC name of [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethylbenzoate (CID 7749163) is [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethylbenzoate.
What is the SMILES notation for [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethylbenzoate?
The canonical SMILES for [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethylbenzoate is Cc1cc(C)cc(C(=O)O[C@@H](C)C(=O)NC(=O)NC2CCCCC2)c1.
What is the InChIKey of [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethylbenzoate?
The InChIKey is CVXSQDRVPNEIMT-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-12-9-13(2)11-15(10-12)18(23)25-14(3)17(22)21-19(24)20-16-7-5-4-6-8-16/h9-11,14,16H,4-8H2,1-3H3,(H2,20,21,22,24)/t14-/m0/s1.
What are the key properties of [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethylbenzoate?
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethylbenzoate has a molecular weight of 346.43 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethylbenzoate is sourced from PubChem (CID 7749163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).