[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium

C24H29N2O+ — CID 9397352

IUPAC[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium
SMILESCc1cccc(C(C)C)c1NC(=O)C[NH2+][C@@H](C)c1cccc2ccccc12
InChIInChI=1S/C24H28N2O/c1-16(2)20-13-7-9-17(3)24(20)26-23(27)15-25-18(4)21-14-8-11-19-10-5-6-12-22(19)21/h5-14,16,18,25H,15H2,1-4H3,(H,26,27)/p+1/t18-/m0/s1
InChIKeyBLVGIIHVLXTKJR-SFHVURJKSA-O
MW361.51 g/mol
LogP4.53
Rot. Bonds6

About [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium

[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium (PubChem CID 9397352) has the molecular formula C24H29N2O+ and a molecular weight of 361.51 g/mol. Its IUPAC name is [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium.

Molecular Properties

Compound Name[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium
PubChem CID9397352
Molecular FormulaC24H29N2O+
Molecular Weight361.51 g/mol
Exact Mass361.23
IUPAC Name[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium
SMILESCc1cccc(C(C)C)c1NC(=O)C[NH2+][C@@H](C)c1cccc2ccccc12
InChIInChI=1S/C24H28N2O/c1-16(2)20-13-7-9-17(3)24(20)26-23(27)15-25-18(4)21-14-8-11-19-10-5-6-12-22(19)21/h5-14,16,18,25H,15H2,1-4H3,(H,26,27)/p+1/t18-/m0/s1
InChIKeyBLVGIIHVLXTKJR-SFHVURJKSA-O
XLogP4.53
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium with MolForge

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Related Compounds

[(1R)-2-methyl-1-phenylpropyl]-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]azanium
CID 9131757
[(1R)-1-(3-chlorophenyl)ethyl]-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]azanium
CID 9331155
[2-(benzylamino)-2-oxoethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium
CID 9397161
[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium
CID 9397775
[2-(3,4-difluoroanilino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium
CID 9396987
[2-(methoxycarbonylamino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium
CID 9396803
[2-(4-ethoxyanilino)-2-oxoethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium
CID 9397491
N-(2-methyl-6-propan-2-ylphenyl)-2-sulfanylacetamide
CID 715390
[2-[3,5-bis(methoxycarbonyl)anilino]-2-oxoethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium
CID 9396462
[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]azanium
CID 9001162
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium
CID 9397868
[2-(3,4-dimethoxyanilino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium
CID 9397393

Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium?
The IUPAC name of [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium (CID 9397352) is [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium.
What is the SMILES notation for [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium?
The canonical SMILES for [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium is Cc1cccc(C(C)C)c1NC(=O)C[NH2+][C@@H](C)c1cccc2ccccc12.
What is the InChIKey of [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium?
The InChIKey is BLVGIIHVLXTKJR-SFHVURJKSA-O. The full InChI is InChI=1S/C24H28N2O/c1-16(2)20-13-7-9-17(3)24(20)26-23(27)15-25-18(4)21-14-8-11-19-10-5-6-12-22(19)21/h5-14,16,18,25H,15H2,1-4H3,(H,26,27)/p+1/t18-/m0/s1.
What are the key properties of [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium?
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium has a molecular weight of 361.51 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium is sourced from PubChem (CID 9397352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).