2-[methyl(naphthalen-2-yl)amino]-N-(2-methylpropylcarbamoyl)acetamide

C18H23N3O2 — CID 8593155

IUPAC2-[methyl(naphthalen-2-yl)amino]-N-(2-methylpropylcarbamoyl)acetamide
SMILESCC(C)CNC(=O)NC(=O)CN(C)c1ccc2ccccc2c1
InChIInChI=1S/C18H23N3O2/c1-13(2)11-19-18(23)20-17(22)12-21(3)16-9-8-14-6-4-5-7-15(14)10-16/h4-10,13H,11-12H2,1-3H3,(H2,19,20,22,23)
InChIKeyBNBXVSCZYGIDFG-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.76
Rot. Bonds5

About 2-[methyl(naphthalen-2-yl)amino]-N-(2-methylpropylcarbamoyl)acetamide

2-[methyl(naphthalen-2-yl)amino]-N-(2-methylpropylcarbamoyl)acetamide (PubChem CID 8593155) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-[methyl(naphthalen-2-yl)amino]-N-(2-methylpropylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[methyl(naphthalen-2-yl)amino]-N-(2-methylpropylcarbamoyl)acetamide
PubChem CID8593155
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name2-[methyl(naphthalen-2-yl)amino]-N-(2-methylpropylcarbamoyl)acetamide
SMILESCC(C)CNC(=O)NC(=O)CN(C)c1ccc2ccccc2c1
InChIInChI=1S/C18H23N3O2/c1-13(2)11-19-18(23)20-17(22)12-21(3)16-9-8-14-6-4-5-7-15(14)10-16/h4-10,13H,11-12H2,1-3H3,(H2,19,20,22,23)
InChIKeyBNBXVSCZYGIDFG-UHFFFAOYSA-N
XLogP2.76
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(naphthalen-2-yl)amino]-N-(2-methylpropylcarbamoyl)acetamide?
The IUPAC name of 2-[methyl(naphthalen-2-yl)amino]-N-(2-methylpropylcarbamoyl)acetamide (CID 8593155) is 2-[methyl(naphthalen-2-yl)amino]-N-(2-methylpropylcarbamoyl)acetamide.
What is the SMILES notation for 2-[methyl(naphthalen-2-yl)amino]-N-(2-methylpropylcarbamoyl)acetamide?
The canonical SMILES for 2-[methyl(naphthalen-2-yl)amino]-N-(2-methylpropylcarbamoyl)acetamide is CC(C)CNC(=O)NC(=O)CN(C)c1ccc2ccccc2c1.
What is the InChIKey of 2-[methyl(naphthalen-2-yl)amino]-N-(2-methylpropylcarbamoyl)acetamide?
The InChIKey is BNBXVSCZYGIDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-13(2)11-19-18(23)20-17(22)12-21(3)16-9-8-14-6-4-5-7-15(14)10-16/h4-10,13H,11-12H2,1-3H3,(H2,19,20,22,23).
What are the key properties of 2-[methyl(naphthalen-2-yl)amino]-N-(2-methylpropylcarbamoyl)acetamide?
2-[methyl(naphthalen-2-yl)amino]-N-(2-methylpropylcarbamoyl)acetamide has a molecular weight of 313.40 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(naphthalen-2-yl)amino]-N-(2-methylpropylcarbamoyl)acetamide is sourced from PubChem (CID 8593155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).