dimethyl-[(1S)-2-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]-1-phenylethyl]azanium

C24H31N2O2+ — CID 9166718

IUPACdimethyl-[(1S)-2-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]-1-phenylethyl]azanium
SMILESC[NH+](C)[C@H](CNC(=O)CCC(=O)c1ccc2c(c1)CCCC2)c1ccccc1
InChIInChI=1S/C24H30N2O2/c1-26(2)22(19-9-4-3-5-10-19)17-25-24(28)15-14-23(27)21-13-12-18-8-6-7-11-20(18)16-21/h3-5,9-10,12-13,16,22H,6-8,11,14-15,17H2,1-2H3,(H,25,28)/p+1/t22-/m1/s1
InChIKeyVLFKFDDIMJNEED-JOCHJYFZSA-O
MW379.52 g/mol
LogP2.53
Rot. Bonds8

About dimethyl-[(1S)-2-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]-1-phenylethyl]azanium

dimethyl-[(1S)-2-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]-1-phenylethyl]azanium (PubChem CID 9166718) has the molecular formula C24H31N2O2+ and a molecular weight of 379.52 g/mol. Its IUPAC name is dimethyl-[(1S)-2-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]-1-phenylethyl]azanium.

Molecular Properties

Compound Namedimethyl-[(1S)-2-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]-1-phenylethyl]azanium
PubChem CID9166718
Molecular FormulaC24H31N2O2+
Molecular Weight379.52 g/mol
Exact Mass379.24
IUPAC Namedimethyl-[(1S)-2-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]-1-phenylethyl]azanium
SMILESC[NH+](C)[C@H](CNC(=O)CCC(=O)c1ccc2c(c1)CCCC2)c1ccccc1
InChIInChI=1S/C24H30N2O2/c1-26(2)22(19-9-4-3-5-10-19)17-25-24(28)15-14-23(27)21-13-12-18-8-6-7-11-20(18)16-21/h3-5,9-10,12-13,16,22H,6-8,11,14-15,17H2,1-2H3,(H,25,28)/p+1/t22-/m1/s1
InChIKeyVLFKFDDIMJNEED-JOCHJYFZSA-O
XLogP2.53
TPSA50.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.52
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze dimethyl-[(1S)-2-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]-1-phenylethyl]azanium with MolForge

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Related Compounds

N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 9166700
4-(2,3-dihydro-1H-inden-5-yl)-N-(2-hydroxypropyl)-4-oxobutanamide
CID 78856508
N-[(2R)-2-(ethylamino)propyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 120653209
4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-[3-(1-phenylethoxy)propyl]butanamide
CID 43048242
N-[(2-methylphenyl)methyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 9104253
N-[2-(methylamino)ethyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide;hydrochloride
CID 119504083
1-(2,3-dihydro-1H-inden-5-yl)-4-phenylbutane-1,4-dione
CID 90371119
4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-prop-2-ynylbutanamide
CID 30602319
1-benzyl-3-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]thiourea
CID 31529199
N-(2-phenylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 85007437
ethyl 2-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]acetate
CID 108807177
2-[[[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]amino]methyl]-2-ethylbutanoic acid
CID 120688866

Frequently Asked Questions

What is the IUPAC name of dimethyl-[(1S)-2-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]-1-phenylethyl]azanium?
The IUPAC name of dimethyl-[(1S)-2-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]-1-phenylethyl]azanium (CID 9166718) is dimethyl-[(1S)-2-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]-1-phenylethyl]azanium.
What is the SMILES notation for dimethyl-[(1S)-2-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]-1-phenylethyl]azanium?
The canonical SMILES for dimethyl-[(1S)-2-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]-1-phenylethyl]azanium is C[NH+](C)[C@H](CNC(=O)CCC(=O)c1ccc2c(c1)CCCC2)c1ccccc1.
What is the InChIKey of dimethyl-[(1S)-2-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]-1-phenylethyl]azanium?
The InChIKey is VLFKFDDIMJNEED-JOCHJYFZSA-O. The full InChI is InChI=1S/C24H30N2O2/c1-26(2)22(19-9-4-3-5-10-19)17-25-24(28)15-14-23(27)21-13-12-18-8-6-7-11-20(18)16-21/h3-5,9-10,12-13,16,22H,6-8,11,14-15,17H2,1-2H3,(H,25,28)/p+1/t22-/m1/s1.
What are the key properties of dimethyl-[(1S)-2-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]-1-phenylethyl]azanium?
dimethyl-[(1S)-2-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]-1-phenylethyl]azanium has a molecular weight of 379.52 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[(1S)-2-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]-1-phenylethyl]azanium is sourced from PubChem (CID 9166718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).