benzhydryl-[2-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium

C26H30N3O2+ — CID 9035467

IUPACbenzhydryl-[2-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium
SMILESCc1ccc(C)c(NC(=O)CN(C)C(=O)C[NH2+]C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C26H29N3O2/c1-19-14-15-20(2)23(16-19)28-24(30)18-29(3)25(31)17-27-26(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-16,26-27H,17-18H2,1-3H3,(H,28,30)/p+1
InChIKeySVWQPYPPDZSFDJ-UHFFFAOYSA-O
MW416.55 g/mol
LogP3.05
Rot. Bonds8

About benzhydryl-[2-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium

benzhydryl-[2-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium (PubChem CID 9035467) has the molecular formula C26H30N3O2+ and a molecular weight of 416.55 g/mol. Its IUPAC name is benzhydryl-[2-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium.

Molecular Properties

Compound Namebenzhydryl-[2-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium
PubChem CID9035467
Molecular FormulaC26H30N3O2+
Molecular Weight416.55 g/mol
Exact Mass416.23
IUPAC Namebenzhydryl-[2-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium
SMILESCc1ccc(C)c(NC(=O)CN(C)C(=O)C[NH2+]C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C26H29N3O2/c1-19-14-15-20(2)23(16-19)28-24(30)18-29(3)25(31)17-27-26(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-16,26-27H,17-18H2,1-3H3,(H,28,30)/p+1
InChIKeySVWQPYPPDZSFDJ-UHFFFAOYSA-O
XLogP3.05
TPSA66.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.55
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S)-1-(2,4-dichlorophenyl)ethyl]-[2-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium
CID 9041050
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-methylacetamide
CID 8755860
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-(2-fluorophenyl)-N-methylpropanamide
CID 9427990
[2-(2,5-dimethylanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9131689
N-(2,5-dimethylphenyl)-2-[methyl-(2-naphthalen-2-ylsulfanylacetyl)amino]acetamide
CID 9041125
4-benzoyl-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 9479837
2-(4-chlorophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylacetamide
CID 8914683
2-[[2-(4-chlorophenyl)sulfanylacetyl]-methylamino]-N-(2,5-dimethylphenyl)acetamide
CID 7816336
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylacetamide
CID 9043922
N-(2,5-dimethylphenyl)-2-[methyl-[2-(2-nitrophenyl)sulfanylacetyl]amino]acetamide
CID 9479640
2-(2,6-dichlorophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylacetamide
CID 2672667
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-2-(4-phenylpiperazin-1-yl)acetamide
CID 17493433

Frequently Asked Questions

What is the IUPAC name of benzhydryl-[2-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium?
The IUPAC name of benzhydryl-[2-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium (CID 9035467) is benzhydryl-[2-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium.
What is the SMILES notation for benzhydryl-[2-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium?
The canonical SMILES for benzhydryl-[2-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium is Cc1ccc(C)c(NC(=O)CN(C)C(=O)C[NH2+]C(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of benzhydryl-[2-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium?
The InChIKey is SVWQPYPPDZSFDJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C26H29N3O2/c1-19-14-15-20(2)23(16-19)28-24(30)18-29(3)25(31)17-27-26(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-16,26-27H,17-18H2,1-3H3,(H,28,30)/p+1.
What are the key properties of benzhydryl-[2-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium?
benzhydryl-[2-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium has a molecular weight of 416.55 g/mol, XLogP of 3.05, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydryl-[2-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium is sourced from PubChem (CID 9035467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).