[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl]-methyl-(naphthalen-2-ylmethyl)azanium

C23H25N2O2+ — CID 9261721

IUPAC[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl]-methyl-(naphthalen-2-ylmethyl)azanium
SMILESCC(=O)c1cccc(NC(=O)[C@H](C)[NH+](C)Cc2ccc3ccccc3c2)c1
InChIInChI=1S/C23H24N2O2/c1-16(23(27)24-22-10-6-9-20(14-22)17(2)26)25(3)15-18-11-12-19-7-4-5-8-21(19)13-18/h4-14,16H,15H2,1-3H3,(H,24,27)/p+1/t16-/m0/s1
InChIKeyMUADZZGJOGKSJQ-INIZCTEOSA-O
MW361.47 g/mol
LogP3.08
Rot. Bonds6

About [(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl]-methyl-(naphthalen-2-ylmethyl)azanium

[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl]-methyl-(naphthalen-2-ylmethyl)azanium (PubChem CID 9261721) has the molecular formula C23H25N2O2+ and a molecular weight of 361.47 g/mol. Its IUPAC name is [(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl]-methyl-(naphthalen-2-ylmethyl)azanium.

Molecular Properties

Compound Name[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl]-methyl-(naphthalen-2-ylmethyl)azanium
PubChem CID9261721
Molecular FormulaC23H25N2O2+
Molecular Weight361.47 g/mol
Exact Mass361.19
IUPAC Name[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl]-methyl-(naphthalen-2-ylmethyl)azanium
SMILESCC(=O)c1cccc(NC(=O)[C@H](C)[NH+](C)Cc2ccc3ccccc3c2)c1
InChIInChI=1S/C23H24N2O2/c1-16(23(27)24-22-10-6-9-20(14-22)17(2)26)25(3)15-18-11-12-19-7-4-5-8-21(19)13-18/h4-14,16H,15H2,1-3H3,(H,24,27)/p+1/t16-/m0/s1
InChIKeyMUADZZGJOGKSJQ-INIZCTEOSA-O
XLogP3.08
TPSA50.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl]-[(3-chlorophenyl)methyl]-methylazanium
CID 9251362
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium
CID 9199201
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2-naphthalen-2-ylacetate
CID 7828500
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl]-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-methylazanium
CID 9104739
N-(3-acetylphenyl)-2-naphthalen-2-ylacetamide
CID 9165110
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium
CID 9054076
benzyl-[(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl]-methylazanium
CID 9274622
[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-methyl-(naphthalen-2-ylmethyl)azanium
CID 9261322
N-(3-acetylphenyl)naphthalene-2-carboxamide
CID 2274462
[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium
CID 9198880
[(2R)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl]-methyl-(naphthalen-2-ylmethyl)azanium
CID 9261709
3-[(2-acetamido-3-naphthalen-2-ylpropanoyl)amino]-N-hydroxybenzamide
CID 87454003

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl]-methyl-(naphthalen-2-ylmethyl)azanium?
The IUPAC name of [(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl]-methyl-(naphthalen-2-ylmethyl)azanium (CID 9261721) is [(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl]-methyl-(naphthalen-2-ylmethyl)azanium.
What is the SMILES notation for [(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl]-methyl-(naphthalen-2-ylmethyl)azanium?
The canonical SMILES for [(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl]-methyl-(naphthalen-2-ylmethyl)azanium is CC(=O)c1cccc(NC(=O)[C@H](C)[NH+](C)Cc2ccc3ccccc3c2)c1.
What is the InChIKey of [(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl]-methyl-(naphthalen-2-ylmethyl)azanium?
The InChIKey is MUADZZGJOGKSJQ-INIZCTEOSA-O. The full InChI is InChI=1S/C23H24N2O2/c1-16(23(27)24-22-10-6-9-20(14-22)17(2)26)25(3)15-18-11-12-19-7-4-5-8-21(19)13-18/h4-14,16H,15H2,1-3H3,(H,24,27)/p+1/t16-/m0/s1.
What are the key properties of [(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl]-methyl-(naphthalen-2-ylmethyl)azanium?
[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl]-methyl-(naphthalen-2-ylmethyl)azanium has a molecular weight of 361.47 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl]-methyl-(naphthalen-2-ylmethyl)azanium is sourced from PubChem (CID 9261721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).