(2S)-2-amino-3-methyl-N-(1-naphthalen-2-yl-3-oxopropan-2-yl)butanamide

C18H22N2O2 — CID 54434118

IUPAC(2S)-2-amino-3-methyl-N-(1-naphthalen-2-yl-3-oxopropan-2-yl)butanamide
SMILESCC(C)[C@H](N)C(=O)NC(C=O)Cc1ccc2ccccc2c1
InChIInChI=1S/C18H22N2O2/c1-12(2)17(19)18(22)20-16(11-21)10-13-7-8-14-5-3-4-6-15(14)9-13/h3-9,11-12,16-17H,10,19H2,1-2H3,(H,20,22)/t16?,17-/m0/s1
InChIKeyWJNWNMAFCWPKEP-DJNXLDHESA-N
MW298.39 g/mol
LogP2.05
Rot. Bonds6

About (2S)-2-amino-3-methyl-N-(1-naphthalen-2-yl-3-oxopropan-2-yl)butanamide

(2S)-2-amino-3-methyl-N-(1-naphthalen-2-yl-3-oxopropan-2-yl)butanamide (PubChem CID 54434118) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-(1-naphthalen-2-yl-3-oxopropan-2-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-(1-naphthalen-2-yl-3-oxopropan-2-yl)butanamide
PubChem CID54434118
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name(2S)-2-amino-3-methyl-N-(1-naphthalen-2-yl-3-oxopropan-2-yl)butanamide
SMILESCC(C)[C@H](N)C(=O)NC(C=O)Cc1ccc2ccccc2c1
InChIInChI=1S/C18H22N2O2/c1-12(2)17(19)18(22)20-16(11-21)10-13-7-8-14-5-3-4-6-15(14)9-13/h3-9,11-12,16-17H,10,19H2,1-2H3,(H,20,22)/t16?,17-/m0/s1
InChIKeyWJNWNMAFCWPKEP-DJNXLDHESA-N
XLogP2.05
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-(4-hydroxyphenyl)-3-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-3-methylbutanamide
CID 163042712
butyl N-(1-naphthalen-2-yl-3-oxopropan-2-yl)carbamate
CID 151598616
(2S)-2-acetamido-N-[(2S)-1-(4-chlorophenyl)-3-oxopropan-2-yl]-3-naphthalen-2-ylpropanamide
CID 173310860
ethane;(2S)-2-(methylamino)-3-naphthalen-2-ylpropanal;molecular hydrogen
CID 145374436
(2S)-2-amino-N-(1-amino-1-oxopropan-2-yl)-3-naphthalen-2-ylpropanamide
CID 91406698
(2S)-N-[(1R)-1-amino-2-oxopropyl]-2-methyl-3-naphthalen-2-ylpropanamide
CID 71163130
2-amino-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpropanamide;copper
CID 173080162
(2S)-2-amino-3-(4-hydroxyphenyl)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]propanamide
CID 18658342
(2S)-2-amino-N-[(2S)-1-hydroxy-3-oxopropan-2-yl]-3-methylbutanamide
CID 56637055
(2R)-2-amino-3-methyl-N-naphthalen-2-ylbutanamide
CID 671224
2-amino-N',N'-dimethyl-3-naphthalen-2-ylpropanehydrazide
CID 116849985
(2S)-2-amino-3-(4-hydroxyphenyl)-N-[(2S)-1-(4-hydroxyphenyl)-3-oxopropan-2-yl]propanamide
CID 90694268

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-(1-naphthalen-2-yl-3-oxopropan-2-yl)butanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-(1-naphthalen-2-yl-3-oxopropan-2-yl)butanamide (CID 54434118) is (2S)-2-amino-3-methyl-N-(1-naphthalen-2-yl-3-oxopropan-2-yl)butanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-(1-naphthalen-2-yl-3-oxopropan-2-yl)butanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-(1-naphthalen-2-yl-3-oxopropan-2-yl)butanamide is CC(C)[C@H](N)C(=O)NC(C=O)Cc1ccc2ccccc2c1.
What is the InChIKey of (2S)-2-amino-3-methyl-N-(1-naphthalen-2-yl-3-oxopropan-2-yl)butanamide?
The InChIKey is WJNWNMAFCWPKEP-DJNXLDHESA-N. The full InChI is InChI=1S/C18H22N2O2/c1-12(2)17(19)18(22)20-16(11-21)10-13-7-8-14-5-3-4-6-15(14)9-13/h3-9,11-12,16-17H,10,19H2,1-2H3,(H,20,22)/t16?,17-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-(1-naphthalen-2-yl-3-oxopropan-2-yl)butanamide?
(2S)-2-amino-3-methyl-N-(1-naphthalen-2-yl-3-oxopropan-2-yl)butanamide has a molecular weight of 298.39 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-(1-naphthalen-2-yl-3-oxopropan-2-yl)butanamide is sourced from PubChem (CID 54434118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).