[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]-[(4-ethoxyphenyl)methyl]-methylazanium

C20H32N3O3+ — CID 8798946

IUPAC[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]-[(4-ethoxyphenyl)methyl]-methylazanium
SMILESCCOc1ccc(C[NH+](C)[C@H](C)C(=O)NC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C20H31N3O3/c1-4-26-18-12-10-16(11-13-18)14-23(3)15(2)19(24)22-20(25)21-17-8-6-5-7-9-17/h10-13,15,17H,4-9,14H2,1-3H3,(H2,21,22,24,25)/p+1/t15-/m1/s1
InChIKeyQJCUELORTFRVAG-OAHLLOKOSA-O
MW362.49 g/mol
LogP1.65
Rot. Bonds7

About [(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]-[(4-ethoxyphenyl)methyl]-methylazanium

[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]-[(4-ethoxyphenyl)methyl]-methylazanium (PubChem CID 8798946) has the molecular formula C20H32N3O3+ and a molecular weight of 362.49 g/mol. Its IUPAC name is [(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]-[(4-ethoxyphenyl)methyl]-methylazanium.

Molecular Properties

Compound Name[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]-[(4-ethoxyphenyl)methyl]-methylazanium
PubChem CID8798946
Molecular FormulaC20H32N3O3+
Molecular Weight362.49 g/mol
Exact Mass362.24
IUPAC Name[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]-[(4-ethoxyphenyl)methyl]-methylazanium
SMILESCCOc1ccc(C[NH+](C)[C@H](C)C(=O)NC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C20H31N3O3/c1-4-26-18-12-10-16(11-13-18)14-23(3)15(2)19(24)22-20(25)21-17-8-6-5-7-9-17/h10-13,15,17H,4-9,14H2,1-3H3,(H2,21,22,24,25)/p+1/t15-/m1/s1
InChIKeyQJCUELORTFRVAG-OAHLLOKOSA-O
XLogP1.65
TPSA71.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.49
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]-[(4-ethoxyphenyl)methyl]-methylazanium with MolForge

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Related Compounds

[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]-[(4-fluorophenyl)methyl]-methylazanium
CID 9251726
2-(4-chlorophenoxy)ethyl-[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]-methylazanium
CID 9252222
1-cyclododecyl-3-[(4-ethoxyphenyl)methyl]urea
CID 108884395
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(4-methoxyphenyl)methyl]-methylazanium
CID 8793180
[(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl]-[(4-ethoxyphenyl)methyl]-methylazanium
CID 8515355
benzyl-[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]-methylazanium
CID 9274599
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 4-propoxybenzoate
CID 7211747
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 4-butoxybenzoate
CID 7844796
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate
CID 7537646
[(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-methylphenyl)acetate
CID 9063212
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-phenylacetate
CID 7874778
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-phenylacetate
CID 7874780

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]-[(4-ethoxyphenyl)methyl]-methylazanium?
The IUPAC name of [(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]-[(4-ethoxyphenyl)methyl]-methylazanium (CID 8798946) is [(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]-[(4-ethoxyphenyl)methyl]-methylazanium.
What is the SMILES notation for [(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]-[(4-ethoxyphenyl)methyl]-methylazanium?
The canonical SMILES for [(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]-[(4-ethoxyphenyl)methyl]-methylazanium is CCOc1ccc(C[NH+](C)[C@H](C)C(=O)NC(=O)NC2CCCCC2)cc1.
What is the InChIKey of [(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]-[(4-ethoxyphenyl)methyl]-methylazanium?
The InChIKey is QJCUELORTFRVAG-OAHLLOKOSA-O. The full InChI is InChI=1S/C20H31N3O3/c1-4-26-18-12-10-16(11-13-18)14-23(3)15(2)19(24)22-20(25)21-17-8-6-5-7-9-17/h10-13,15,17H,4-9,14H2,1-3H3,(H2,21,22,24,25)/p+1/t15-/m1/s1.
What are the key properties of [(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]-[(4-ethoxyphenyl)methyl]-methylazanium?
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]-[(4-ethoxyphenyl)methyl]-methylazanium has a molecular weight of 362.49 g/mol, XLogP of 1.65, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]-[(4-ethoxyphenyl)methyl]-methylazanium is sourced from PubChem (CID 8798946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).