2-[(2-hydroxy-2-naphthalen-2-ylethyl)carbamoylamino]-N-(2-methylpropyl)acetamide

C19H25N3O3 — CID 71877036

IUPAC2-[(2-hydroxy-2-naphthalen-2-ylethyl)carbamoylamino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CNC(=O)NCC(O)c1ccc2ccccc2c1
InChIInChI=1S/C19H25N3O3/c1-13(2)10-20-18(24)12-22-19(25)21-11-17(23)16-8-7-14-5-3-4-6-15(14)9-16/h3-9,13,17,23H,10-12H2,1-2H3,(H,20,24)(H2,21,22,25)
InChIKeyCFERULFGIZTSAA-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.94
Rot. Bonds7

About 2-[(2-hydroxy-2-naphthalen-2-ylethyl)carbamoylamino]-N-(2-methylpropyl)acetamide

2-[(2-hydroxy-2-naphthalen-2-ylethyl)carbamoylamino]-N-(2-methylpropyl)acetamide (PubChem CID 71877036) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-[(2-hydroxy-2-naphthalen-2-ylethyl)carbamoylamino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[(2-hydroxy-2-naphthalen-2-ylethyl)carbamoylamino]-N-(2-methylpropyl)acetamide
PubChem CID71877036
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name2-[(2-hydroxy-2-naphthalen-2-ylethyl)carbamoylamino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CNC(=O)NCC(O)c1ccc2ccccc2c1
InChIInChI=1S/C19H25N3O3/c1-13(2)10-20-18(24)12-22-19(25)21-11-17(23)16-8-7-14-5-3-4-6-15(14)9-16/h3-9,13,17,23H,10-12H2,1-2H3,(H,20,24)(H2,21,22,25)
InChIKeyCFERULFGIZTSAA-UHFFFAOYSA-N
XLogP1.94
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-2-naphthalen-2-ylethyl)carbamoylamino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[(2-hydroxy-2-naphthalen-2-ylethyl)carbamoylamino]-N-(2-methylpropyl)acetamide (CID 71877036) is 2-[(2-hydroxy-2-naphthalen-2-ylethyl)carbamoylamino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[(2-hydroxy-2-naphthalen-2-ylethyl)carbamoylamino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[(2-hydroxy-2-naphthalen-2-ylethyl)carbamoylamino]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CNC(=O)NCC(O)c1ccc2ccccc2c1.
What is the InChIKey of 2-[(2-hydroxy-2-naphthalen-2-ylethyl)carbamoylamino]-N-(2-methylpropyl)acetamide?
The InChIKey is CFERULFGIZTSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-13(2)10-20-18(24)12-22-19(25)21-11-17(23)16-8-7-14-5-3-4-6-15(14)9-16/h3-9,13,17,23H,10-12H2,1-2H3,(H,20,24)(H2,21,22,25).
What are the key properties of 2-[(2-hydroxy-2-naphthalen-2-ylethyl)carbamoylamino]-N-(2-methylpropyl)acetamide?
2-[(2-hydroxy-2-naphthalen-2-ylethyl)carbamoylamino]-N-(2-methylpropyl)acetamide has a molecular weight of 343.43 g/mol, XLogP of 1.94, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-2-naphthalen-2-ylethyl)carbamoylamino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 71877036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).