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

C16H19NO — CID 781909

IUPAC(2S)-1-naphthalen-2-yl-2-(propan-2-ylamino)propan-1-one
SMILESCC(C)N[C@@H](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/t12-/m0/s1
InChIKeyRZEGAUHOOVLKOZ-LBPRGKRZSA-N
MW241.33 g/mol
LogP3.41
Rot. Bonds4

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

(2S)-1-naphthalen-2-yl-2-(propan-2-ylamino)propan-1-one (PubChem CID 781909) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is (2S)-1-naphthalen-2-yl-2-(propan-2-ylamino)propan-1-one.

Molecular Properties

Compound Name(2S)-1-naphthalen-2-yl-2-(propan-2-ylamino)propan-1-one
PubChem CID781909
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name(2S)-1-naphthalen-2-yl-2-(propan-2-ylamino)propan-1-one
SMILESCC(C)N[C@@H](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/t12-/m0/s1
InChIKeyRZEGAUHOOVLKOZ-LBPRGKRZSA-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

Analyze (2S)-1-naphthalen-2-yl-2-(propan-2-ylamino)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-hydroxy-1-naphthalen-2-ylpropan-1-one
CID 10130388
2-methoxy-1-naphthalen-2-ylpropan-1-one
CID 79616176
(2R)-2-amino-1-naphthalen-2-ylpropan-1-one
CID 67852700
(2R)-2-chloro-1-naphthalen-2-ylpropan-1-one
CID 93494503
3-methyl-2-(methylaminomethyl)-1-naphthalen-2-ylbutan-1-one
CID 116923574
1-naphthalen-2-yl-2-piperidin-1-ylpropan-1-one;hydrochloride
CID 2845131
2-amino-4-methyl-1-naphthalen-2-ylpentan-1-one
CID 116553536
diethyl-[(2S)-1-naphthalen-2-yl-1-oxopropan-2-yl]azanium
CID 6942690
2-hydroxy-3-(methylamino)-1-naphthalen-2-ylpropan-1-one
CID 116826843
N-[(1R)-1-phenylethyl]naphthalene-2-carboxamide
CID 814202
(2R)-2-amino-4-methyl-1-naphthalen-2-ylpentan-1-one
CID 102464315
ethane;naphthalene-2-carbohydrazide
CID 91601372

Frequently Asked Questions

What is the IUPAC name of (2S)-1-naphthalen-2-yl-2-(propan-2-ylamino)propan-1-one?
The IUPAC name of (2S)-1-naphthalen-2-yl-2-(propan-2-ylamino)propan-1-one (CID 781909) is (2S)-1-naphthalen-2-yl-2-(propan-2-ylamino)propan-1-one.
What is the SMILES notation for (2S)-1-naphthalen-2-yl-2-(propan-2-ylamino)propan-1-one?
The canonical SMILES for (2S)-1-naphthalen-2-yl-2-(propan-2-ylamino)propan-1-one is CC(C)N[C@@H](C)C(=O)c1ccc2ccccc2c1.
What is the InChIKey of (2S)-1-naphthalen-2-yl-2-(propan-2-ylamino)propan-1-one?
The InChIKey is RZEGAUHOOVLKOZ-LBPRGKRZSA-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/t12-/m0/s1.
What are the key properties of (2S)-1-naphthalen-2-yl-2-(propan-2-ylamino)propan-1-one?
(2S)-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 (2S)-1-naphthalen-2-yl-2-(propan-2-ylamino)propan-1-one is sourced from PubChem (CID 781909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).