potassium 2-(3-methoxycyclohexyl)-2-[(3-propan-2-ylphenyl)carbamoylamino]acetate

C19H27KN2O4 — CID 166240274

IUPACpotassium 2-(3-methoxycyclohexyl)-2-[(3-propan-2-ylphenyl)carbamoylamino]acetate
SMILESCOC1CCCC(C(NC(=O)Nc2cccc(C(C)C)c2)C(=O)[O-])C1.[K+]
InChIInChI=1S/C19H28N2O4.K/c1-12(2)13-6-4-8-15(10-13)20-19(24)21-17(18(22)23)14-7-5-9-16(11-14)25-3;/h4,6,8,10,12,14,16-17H,5,7,9,11H2,1-3H3,(H,22,23)(H2,20,21,24);/q;+1/p-1
InChIKeyZHQLZIGIUUFWDT-UHFFFAOYSA-M
MW386.53 g/mol
LogP-0.74
Rot. Bonds6

About potassium 2-(3-methoxycyclohexyl)-2-[(3-propan-2-ylphenyl)carbamoylamino]acetate

potassium 2-(3-methoxycyclohexyl)-2-[(3-propan-2-ylphenyl)carbamoylamino]acetate (PubChem CID 166240274) has the molecular formula C19H27KN2O4 and a molecular weight of 386.53 g/mol. Its IUPAC name is potassium 2-(3-methoxycyclohexyl)-2-[(3-propan-2-ylphenyl)carbamoylamino]acetate.

Molecular Properties

Compound Namepotassium 2-(3-methoxycyclohexyl)-2-[(3-propan-2-ylphenyl)carbamoylamino]acetate
PubChem CID166240274
Molecular FormulaC19H27KN2O4
Molecular Weight386.53 g/mol
Exact Mass386.16
IUPAC Namepotassium 2-(3-methoxycyclohexyl)-2-[(3-propan-2-ylphenyl)carbamoylamino]acetate
SMILESCOC1CCCC(C(NC(=O)Nc2cccc(C(C)C)c2)C(=O)[O-])C1.[K+]
InChIInChI=1S/C19H28N2O4.K/c1-12(2)13-6-4-8-15(10-13)20-19(24)21-17(18(22)23)14-7-5-9-16(11-14)25-3;/h4,6,8,10,12,14,16-17H,5,7,9,11H2,1-3H3,(H,22,23)(H2,20,21,24);/q;+1/p-1
InChIKeyZHQLZIGIUUFWDT-UHFFFAOYSA-M
XLogP-0.74
TPSA90.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.53
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze potassium 2-(3-methoxycyclohexyl)-2-[(3-propan-2-ylphenyl)carbamoylamino]acetate with MolForge

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Related Compounds

1-(1-cyclopropylethyl)-3-(3-propan-2-ylphenyl)urea
CID 47133190
1-propan-2-yl-3-(3-propan-2-ylphenyl)urea
CID 47173712
N-(3-methoxycyclobutyl)-3-propan-2-ylaniline
CID 104870345
2-[(3-propan-2-ylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 64817286
3-methyl-2-[(3-propan-2-ylphenyl)carbamoylamino]butanoic acid
CID 61196314
(2S,3R)-3-hydroxy-2-[(3-propan-2-ylphenyl)carbamoylamino]butanoic acid
CID 104965833
propan-2-yl N-(3-propan-2-ylphenyl)carbamate
CID 15649383
(2S,3S)-3-methyl-2-[(3-propan-2-ylphenyl)carbamoylamino]pentanoic acid
CID 61194996
4-methoxy-2-[(3-propan-2-ylphenyl)carbamoylamino]butanoic acid
CID 62480410
3-hydroxy-2-[(3-propan-2-ylphenyl)carbamoylamino]propanoic acid
CID 61196687
N-(3-propan-2-ylphenyl)tricyclo[3.3.0.03,7]octane-2-carboxamide
CID 172505604
3-methyl-N-(3-propan-2-ylphenyl)piperidine-1-carboxamide
CID 47199347

Frequently Asked Questions

What is the IUPAC name of potassium 2-(3-methoxycyclohexyl)-2-[(3-propan-2-ylphenyl)carbamoylamino]acetate?
The IUPAC name of potassium 2-(3-methoxycyclohexyl)-2-[(3-propan-2-ylphenyl)carbamoylamino]acetate (CID 166240274) is potassium 2-(3-methoxycyclohexyl)-2-[(3-propan-2-ylphenyl)carbamoylamino]acetate.
What is the SMILES notation for potassium 2-(3-methoxycyclohexyl)-2-[(3-propan-2-ylphenyl)carbamoylamino]acetate?
The canonical SMILES for potassium 2-(3-methoxycyclohexyl)-2-[(3-propan-2-ylphenyl)carbamoylamino]acetate is COC1CCCC(C(NC(=O)Nc2cccc(C(C)C)c2)C(=O)[O-])C1.[K+].
What is the InChIKey of potassium 2-(3-methoxycyclohexyl)-2-[(3-propan-2-ylphenyl)carbamoylamino]acetate?
The InChIKey is ZHQLZIGIUUFWDT-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H28N2O4.K/c1-12(2)13-6-4-8-15(10-13)20-19(24)21-17(18(22)23)14-7-5-9-16(11-14)25-3;/h4,6,8,10,12,14,16-17H,5,7,9,11H2,1-3H3,(H,22,23)(H2,20,21,24);/q;+1/p-1.
What are the key properties of potassium 2-(3-methoxycyclohexyl)-2-[(3-propan-2-ylphenyl)carbamoylamino]acetate?
potassium 2-(3-methoxycyclohexyl)-2-[(3-propan-2-ylphenyl)carbamoylamino]acetate has a molecular weight of 386.53 g/mol, XLogP of -0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-(3-methoxycyclohexyl)-2-[(3-propan-2-ylphenyl)carbamoylamino]acetate is sourced from PubChem (CID 166240274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).