(2S)-2-(2-naphthalen-2-ylpropanoylamino)pentanamide

C18H22N2O2 — CID 154836494

IUPAC(2S)-2-(2-naphthalen-2-ylpropanoylamino)pentanamide
SMILESCCC[C@H](NC(=O)C(C)c1ccc2ccccc2c1)C(N)=O
InChIInChI=1S/C18H22N2O2/c1-3-6-16(17(19)21)20-18(22)12(2)14-10-9-13-7-4-5-8-15(13)11-14/h4-5,7-12,16H,3,6H2,1-2H3,(H2,19,21)(H,20,22)/t12?,16-/m0/s1
InChIKeyPSWJTGVANNJYFW-INSVYWFGSA-N
MW298.39 g/mol
LogP2.71
Rot. Bonds6

About (2S)-2-(2-naphthalen-2-ylpropanoylamino)pentanamide

(2S)-2-(2-naphthalen-2-ylpropanoylamino)pentanamide (PubChem CID 154836494) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is (2S)-2-(2-naphthalen-2-ylpropanoylamino)pentanamide.

Molecular Properties

Compound Name(2S)-2-(2-naphthalen-2-ylpropanoylamino)pentanamide
PubChem CID154836494
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name(2S)-2-(2-naphthalen-2-ylpropanoylamino)pentanamide
SMILESCCC[C@H](NC(=O)C(C)c1ccc2ccccc2c1)C(N)=O
InChIInChI=1S/C18H22N2O2/c1-3-6-16(17(19)21)20-18(22)12(2)14-10-9-13-7-4-5-8-15(13)11-14/h4-5,7-12,16H,3,6H2,1-2H3,(H2,19,21)(H,20,22)/t12?,16-/m0/s1
InChIKeyPSWJTGVANNJYFW-INSVYWFGSA-N
XLogP2.71
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-naphthalen-2-ylpropanamide
CID 101175106
2-naphthalen-2-ylpropanehydrazide
CID 116843954
(2R)-2-(6-methoxynaphthalen-2-yl)-N-[(2S)-pentan-2-yl]propanamide
CID 95247403
N-(2-amino-2-methylpropyl)-2-naphthalen-2-ylpropanamide;hydrochloride
CID 119630118
N-[2-(methylamino)ethyl]-2-naphthalen-2-ylpropanamide;hydrochloride
CID 119503851
N-benzyl-2-naphthalen-2-ylpropanamide
CID 102432446
N-[(2R)-2-(ethylamino)propyl]-2-naphthalen-2-ylpropanamide;hydrochloride
CID 120652768
4-(2-naphthalen-2-ylpropanoylamino)butanoic acid
CID 119352727
diethyl 2,3-dinaphthalen-2-ylbutanedioate
CID 611707
butyl (2S)-2-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]propanoate
CID 118859513
(1S)-1-naphthalen-2-ylbutan-1-amine
CID 55254735
2-amino-3-methyl-N-(1-naphthalen-2-ylethyl)pentanamide
CID 119685967

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-naphthalen-2-ylpropanoylamino)pentanamide?
The IUPAC name of (2S)-2-(2-naphthalen-2-ylpropanoylamino)pentanamide (CID 154836494) is (2S)-2-(2-naphthalen-2-ylpropanoylamino)pentanamide.
What is the SMILES notation for (2S)-2-(2-naphthalen-2-ylpropanoylamino)pentanamide?
The canonical SMILES for (2S)-2-(2-naphthalen-2-ylpropanoylamino)pentanamide is CCC[C@H](NC(=O)C(C)c1ccc2ccccc2c1)C(N)=O.
What is the InChIKey of (2S)-2-(2-naphthalen-2-ylpropanoylamino)pentanamide?
The InChIKey is PSWJTGVANNJYFW-INSVYWFGSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-3-6-16(17(19)21)20-18(22)12(2)14-10-9-13-7-4-5-8-15(13)11-14/h4-5,7-12,16H,3,6H2,1-2H3,(H2,19,21)(H,20,22)/t12?,16-/m0/s1.
What are the key properties of (2S)-2-(2-naphthalen-2-ylpropanoylamino)pentanamide?
(2S)-2-(2-naphthalen-2-ylpropanoylamino)pentanamide has a molecular weight of 298.39 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-naphthalen-2-ylpropanoylamino)pentanamide is sourced from PubChem (CID 154836494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).