dimethyl-[(1S)-1-phenyl-2-[(3-phenylmethoxybenzoyl)amino]ethyl]azanium

C24H27N2O2+ — CID 2539131

IUPACdimethyl-[(1S)-1-phenyl-2-[(3-phenylmethoxybenzoyl)amino]ethyl]azanium
SMILESC[NH+](C)[C@H](CNC(=O)c1cccc(OCc2ccccc2)c1)c1ccccc1
InChIInChI=1S/C24H26N2O2/c1-26(2)23(20-12-7-4-8-13-20)17-25-24(27)21-14-9-15-22(16-21)28-18-19-10-5-3-6-11-19/h3-16,23H,17-18H2,1-2H3,(H,25,27)/p+1/t23-/m1/s1
InChIKeyZSIJVZCIGVHLMU-HSZRJFAPSA-O
MW375.49 g/mol
LogP2.88
Rot. Bonds8

About dimethyl-[(1S)-1-phenyl-2-[(3-phenylmethoxybenzoyl)amino]ethyl]azanium

dimethyl-[(1S)-1-phenyl-2-[(3-phenylmethoxybenzoyl)amino]ethyl]azanium (PubChem CID 2539131) has the molecular formula C24H27N2O2+ and a molecular weight of 375.49 g/mol. Its IUPAC name is dimethyl-[(1S)-1-phenyl-2-[(3-phenylmethoxybenzoyl)amino]ethyl]azanium.

Molecular Properties

Compound Namedimethyl-[(1S)-1-phenyl-2-[(3-phenylmethoxybenzoyl)amino]ethyl]azanium
PubChem CID2539131
Molecular FormulaC24H27N2O2+
Molecular Weight375.49 g/mol
Exact Mass375.21
IUPAC Namedimethyl-[(1S)-1-phenyl-2-[(3-phenylmethoxybenzoyl)amino]ethyl]azanium
SMILESC[NH+](C)[C@H](CNC(=O)c1cccc(OCc2ccccc2)c1)c1ccccc1
InChIInChI=1S/C24H26N2O2/c1-26(2)23(20-12-7-4-8-13-20)17-25-24(27)21-14-9-15-22(16-21)28-18-19-10-5-3-6-11-19/h3-16,23H,17-18H2,1-2H3,(H,25,27)/p+1/t23-/m1/s1
InChIKeyZSIJVZCIGVHLMU-HSZRJFAPSA-O
XLogP2.88
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(methylamino)propyl]-3-phenylmethoxybenzamide
CID 120833158
N-[(2R)-2-(ethylamino)propyl]-3-phenylmethoxybenzamide
CID 120650597
N-(3-hydroxybutyl)-3-phenylmethoxybenzamide
CID 111433563
3-phenylmethoxy-N-[(1S)-1-phenylpropyl]benzamide
CID 93234582
N-(3-aminobutyl)-3-phenylmethoxybenzamide;hydrochloride
CID 119497996
[(1R)-2-benzamido-1-(4-methoxyphenyl)ethyl]-dimethylazanium
CID 2439282
[(1S)-2-benzamido-1-(4-methoxyphenyl)ethyl]-dimethylazanium
CID 2439285
N-pentyl-3-phenylmethoxybenzamide
CID 112759707
N-[(3-methylphenyl)methyl]-3-phenylmethoxybenzamide
CID 50875108
[(1R)-2-[(4-butoxybenzoyl)amino]-1-phenylethyl]-dimethylazanium
CID 2433840
3-[(4-chlorophenyl)methoxy]-N-(2-methylpropyl)benzamide
CID 13176390
[(1R)-2-[(3,5-difluorobenzoyl)amino]-1-phenylethyl]-dimethylazanium
CID 7897281

Frequently Asked Questions

What is the IUPAC name of dimethyl-[(1S)-1-phenyl-2-[(3-phenylmethoxybenzoyl)amino]ethyl]azanium?
The IUPAC name of dimethyl-[(1S)-1-phenyl-2-[(3-phenylmethoxybenzoyl)amino]ethyl]azanium (CID 2539131) is dimethyl-[(1S)-1-phenyl-2-[(3-phenylmethoxybenzoyl)amino]ethyl]azanium.
What is the SMILES notation for dimethyl-[(1S)-1-phenyl-2-[(3-phenylmethoxybenzoyl)amino]ethyl]azanium?
The canonical SMILES for dimethyl-[(1S)-1-phenyl-2-[(3-phenylmethoxybenzoyl)amino]ethyl]azanium is C[NH+](C)[C@H](CNC(=O)c1cccc(OCc2ccccc2)c1)c1ccccc1.
What is the InChIKey of dimethyl-[(1S)-1-phenyl-2-[(3-phenylmethoxybenzoyl)amino]ethyl]azanium?
The InChIKey is ZSIJVZCIGVHLMU-HSZRJFAPSA-O. The full InChI is InChI=1S/C24H26N2O2/c1-26(2)23(20-12-7-4-8-13-20)17-25-24(27)21-14-9-15-22(16-21)28-18-19-10-5-3-6-11-19/h3-16,23H,17-18H2,1-2H3,(H,25,27)/p+1/t23-/m1/s1.
What are the key properties of dimethyl-[(1S)-1-phenyl-2-[(3-phenylmethoxybenzoyl)amino]ethyl]azanium?
dimethyl-[(1S)-1-phenyl-2-[(3-phenylmethoxybenzoyl)amino]ethyl]azanium has a molecular weight of 375.49 g/mol, XLogP of 2.88, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[(1S)-1-phenyl-2-[(3-phenylmethoxybenzoyl)amino]ethyl]azanium is sourced from PubChem (CID 2539131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).