1-naphthalen-2-yl-2-(propan-2-ylamino)propan-1-one

C16H19NO — CID 3063181

IUPAC1-naphthalen-2-yl-2-(propan-2-ylamino)propan-1-one
SMILESCC(C)NC(C)C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C16H19NO/c1-11(2)17-12(3)16(18)15-9-8-13-6-4-5-7-14(13)10-15/h4-12,17H,1-3H3
InChIKeyRZEGAUHOOVLKOZ-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.41
Rot. Bonds4

About 1-naphthalen-2-yl-2-(propan-2-ylamino)propan-1-one

1-naphthalen-2-yl-2-(propan-2-ylamino)propan-1-one (PubChem CID 3063181) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-naphthalen-2-yl-2-(propan-2-ylamino)propan-1-one.

Molecular Properties

Compound Name1-naphthalen-2-yl-2-(propan-2-ylamino)propan-1-one
PubChem CID3063181
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name1-naphthalen-2-yl-2-(propan-2-ylamino)propan-1-one
SMILESCC(C)NC(C)C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C16H19NO/c1-11(2)17-12(3)16(18)15-9-8-13-6-4-5-7-14(13)10-15/h4-12,17H,1-3H3
InChIKeyRZEGAUHOOVLKOZ-UHFFFAOYSA-N
XLogP3.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-yl-2-(propan-2-ylamino)propan-1-one?
The IUPAC name of 1-naphthalen-2-yl-2-(propan-2-ylamino)propan-1-one (CID 3063181) is 1-naphthalen-2-yl-2-(propan-2-ylamino)propan-1-one.
What is the SMILES notation for 1-naphthalen-2-yl-2-(propan-2-ylamino)propan-1-one?
The canonical SMILES for 1-naphthalen-2-yl-2-(propan-2-ylamino)propan-1-one is CC(C)NC(C)C(=O)c1ccc2ccccc2c1.
What is the InChIKey of 1-naphthalen-2-yl-2-(propan-2-ylamino)propan-1-one?
The InChIKey is RZEGAUHOOVLKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-11(2)17-12(3)16(18)15-9-8-13-6-4-5-7-14(13)10-15/h4-12,17H,1-3H3.
What are the key properties of 1-naphthalen-2-yl-2-(propan-2-ylamino)propan-1-one?
1-naphthalen-2-yl-2-(propan-2-ylamino)propan-1-one has a molecular weight of 241.33 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-yl-2-(propan-2-ylamino)propan-1-one is sourced from PubChem (CID 3063181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).