potassium 2-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)methylcarbamoylamino]-2-methylpropanoate

C18H25KN2O3 — CID 167844586

IUPACpotassium 2-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)methylcarbamoylamino]-2-methylpropanoate
SMILESCC(C)(NC(=O)NCC1CCC(C)(C)c2ccccc21)C(=O)[O-].[K+]
InChIInChI=1S/C18H26N2O3.K/c1-17(2)10-9-12(13-7-5-6-8-14(13)17)11-19-16(23)20-18(3,4)15(21)22;/h5-8,12H,9-11H2,1-4H3,(H,21,22)(H2,19,20,23);/q;+1/p-1
InChIKeyPKSZQWSOJPYSAW-UHFFFAOYSA-M
MW356.51 g/mol
LogP-1.33
Rot. Bonds4

About potassium 2-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)methylcarbamoylamino]-2-methylpropanoate

potassium 2-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)methylcarbamoylamino]-2-methylpropanoate (PubChem CID 167844586) has the molecular formula C18H25KN2O3 and a molecular weight of 356.51 g/mol. Its IUPAC name is potassium 2-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)methylcarbamoylamino]-2-methylpropanoate.

Molecular Properties

Compound Namepotassium 2-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)methylcarbamoylamino]-2-methylpropanoate
PubChem CID167844586
Molecular FormulaC18H25KN2O3
Molecular Weight356.51 g/mol
Exact Mass356.15
IUPAC Namepotassium 2-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)methylcarbamoylamino]-2-methylpropanoate
SMILESCC(C)(NC(=O)NCC1CCC(C)(C)c2ccccc21)C(=O)[O-].[K+]
InChIInChI=1S/C18H26N2O3.K/c1-17(2)10-9-12(13-7-5-6-8-14(13)17)11-19-16(23)20-18(3,4)15(21)22;/h5-8,12H,9-11H2,1-4H3,(H,21,22)(H2,19,20,23);/q;+1/p-1
InChIKeyPKSZQWSOJPYSAW-UHFFFAOYSA-M
XLogP-1.33
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 5-1.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of potassium 2-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)methylcarbamoylamino]-2-methylpropanoate?
The IUPAC name of potassium 2-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)methylcarbamoylamino]-2-methylpropanoate (CID 167844586) is potassium 2-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)methylcarbamoylamino]-2-methylpropanoate.
What is the SMILES notation for potassium 2-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)methylcarbamoylamino]-2-methylpropanoate?
The canonical SMILES for potassium 2-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)methylcarbamoylamino]-2-methylpropanoate is CC(C)(NC(=O)NCC1CCC(C)(C)c2ccccc21)C(=O)[O-].[K+].
What is the InChIKey of potassium 2-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)methylcarbamoylamino]-2-methylpropanoate?
The InChIKey is PKSZQWSOJPYSAW-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H26N2O3.K/c1-17(2)10-9-12(13-7-5-6-8-14(13)17)11-19-16(23)20-18(3,4)15(21)22;/h5-8,12H,9-11H2,1-4H3,(H,21,22)(H2,19,20,23);/q;+1/p-1.
What are the key properties of potassium 2-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)methylcarbamoylamino]-2-methylpropanoate?
potassium 2-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)methylcarbamoylamino]-2-methylpropanoate has a molecular weight of 356.51 g/mol, XLogP of -1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)methylcarbamoylamino]-2-methylpropanoate is sourced from PubChem (CID 167844586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).