(2S)-4-methyl-2-[methyl(propan-2-yl)amino]-1-naphthalen-2-ylpentan-3-one

C20H27NO — CID 153494762

IUPAC(2S)-4-methyl-2-[methyl(propan-2-yl)amino]-1-naphthalen-2-ylpentan-3-one
SMILESCC(C)C(=O)[C@H](Cc1ccc2ccccc2c1)N(C)C(C)C
InChIInChI=1S/C20H27NO/c1-14(2)20(22)19(21(5)15(3)4)13-16-10-11-17-8-6-7-9-18(17)12-16/h6-12,14-15,19H,13H2,1-5H3/t19-/m0/s1
InChIKeyKGFDWVXRNXVBBQ-IBGZPJMESA-N
MW297.44 g/mol
LogP4.32
Rot. Bonds6

About (2S)-4-methyl-2-[methyl(propan-2-yl)amino]-1-naphthalen-2-ylpentan-3-one

(2S)-4-methyl-2-[methyl(propan-2-yl)amino]-1-naphthalen-2-ylpentan-3-one (PubChem CID 153494762) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is (2S)-4-methyl-2-[methyl(propan-2-yl)amino]-1-naphthalen-2-ylpentan-3-one.

Molecular Properties

Compound Name(2S)-4-methyl-2-[methyl(propan-2-yl)amino]-1-naphthalen-2-ylpentan-3-one
PubChem CID153494762
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC Name(2S)-4-methyl-2-[methyl(propan-2-yl)amino]-1-naphthalen-2-ylpentan-3-one
SMILESCC(C)C(=O)[C@H](Cc1ccc2ccccc2c1)N(C)C(C)C
InChIInChI=1S/C20H27NO/c1-14(2)20(22)19(21(5)15(3)4)13-16-10-11-17-8-6-7-9-18(17)12-16/h6-12,14-15,19H,13H2,1-5H3/t19-/m0/s1
InChIKeyKGFDWVXRNXVBBQ-IBGZPJMESA-N
XLogP4.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl(methyl)amino]-3-naphthalen-2-ylpropanoic acid
CID 150245391
(2S)-4-methyl-2-(methyliodanuidylamino)-1-naphthalen-2-ylpentan-3-one
CID 163397797
N-(1-hydroxypropan-2-yl)-N-methyl-2-naphthalen-2-ylacetamide
CID 115765000
N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-2-naphthalen-2-ylacetamide
CID 46455853
2-amino-N',N'-dimethyl-3-naphthalen-2-ylpropanehydrazide
CID 116849985
2-methyl-3-naphthalen-2-ylpropane-1,1-diol
CID 20647932
2-[methyl(propan-2-yl)amino]-3-phenylpropanamide
CID 69053477
3-methyl-4-[3-(3-methyl-2-oxobutyl)phenyl]-1-naphthalen-2-ylbutan-2-one
CID 166677264
3-naphthalen-2-yl-2-trimethylsilylpropanoic acid
CID 101099223
2-(naphthalen-2-ylmethyl)butanoic acid
CID 77427365
4-methyl-2-[methyl(naphthalen-2-ylmethyl)amino]pentanoic acid
CID 22928341
2-(2-nitropropyl)naphthalene
CID 102503616

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-[methyl(propan-2-yl)amino]-1-naphthalen-2-ylpentan-3-one?
The IUPAC name of (2S)-4-methyl-2-[methyl(propan-2-yl)amino]-1-naphthalen-2-ylpentan-3-one (CID 153494762) is (2S)-4-methyl-2-[methyl(propan-2-yl)amino]-1-naphthalen-2-ylpentan-3-one.
What is the SMILES notation for (2S)-4-methyl-2-[methyl(propan-2-yl)amino]-1-naphthalen-2-ylpentan-3-one?
The canonical SMILES for (2S)-4-methyl-2-[methyl(propan-2-yl)amino]-1-naphthalen-2-ylpentan-3-one is CC(C)C(=O)[C@H](Cc1ccc2ccccc2c1)N(C)C(C)C.
What is the InChIKey of (2S)-4-methyl-2-[methyl(propan-2-yl)amino]-1-naphthalen-2-ylpentan-3-one?
The InChIKey is KGFDWVXRNXVBBQ-IBGZPJMESA-N. The full InChI is InChI=1S/C20H27NO/c1-14(2)20(22)19(21(5)15(3)4)13-16-10-11-17-8-6-7-9-18(17)12-16/h6-12,14-15,19H,13H2,1-5H3/t19-/m0/s1.
What are the key properties of (2S)-4-methyl-2-[methyl(propan-2-yl)amino]-1-naphthalen-2-ylpentan-3-one?
(2S)-4-methyl-2-[methyl(propan-2-yl)amino]-1-naphthalen-2-ylpentan-3-one has a molecular weight of 297.44 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-[methyl(propan-2-yl)amino]-1-naphthalen-2-ylpentan-3-one is sourced from PubChem (CID 153494762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).