(2,4-dimethylphenyl)methyl-[2-(methoxycarbonylamino)-2-oxoethyl]-methylazanium

C14H21N2O3+ — CID 8695667

IUPAC(2,4-dimethylphenyl)methyl-[2-(methoxycarbonylamino)-2-oxoethyl]-methylazanium
SMILESCOC(=O)NC(=O)C[NH+](C)Cc1ccc(C)cc1C
InChIInChI=1S/C14H20N2O3/c1-10-5-6-12(11(2)7-10)8-16(3)9-13(17)15-14(18)19-4/h5-7H,8-9H2,1-4H3,(H,15,17,18)/p+1
InChIKeyCLLXYERZYGPSEA-UHFFFAOYSA-O
MW265.33 g/mol
LogP0.20
Rot. Bonds4

About (2,4-dimethylphenyl)methyl-[2-(methoxycarbonylamino)-2-oxoethyl]-methylazanium

(2,4-dimethylphenyl)methyl-[2-(methoxycarbonylamino)-2-oxoethyl]-methylazanium (PubChem CID 8695667) has the molecular formula C14H21N2O3+ and a molecular weight of 265.33 g/mol. Its IUPAC name is (2,4-dimethylphenyl)methyl-[2-(methoxycarbonylamino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name(2,4-dimethylphenyl)methyl-[2-(methoxycarbonylamino)-2-oxoethyl]-methylazanium
PubChem CID8695667
Molecular FormulaC14H21N2O3+
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name(2,4-dimethylphenyl)methyl-[2-(methoxycarbonylamino)-2-oxoethyl]-methylazanium
SMILESCOC(=O)NC(=O)C[NH+](C)Cc1ccc(C)cc1C
InChIInChI=1S/C14H20N2O3/c1-10-5-6-12(11(2)7-10)8-16(3)9-13(17)15-14(18)19-4/h5-7H,8-9H2,1-4H3,(H,15,17,18)/p+1
InChIKeyCLLXYERZYGPSEA-UHFFFAOYSA-O
XLogP0.20
TPSA59.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylazanium
CID 9045907
[2-(2,6-dimethylanilino)-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylazanium
CID 9045226
(2,4-dimethylphenyl)methyl-[2-(2-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9045473
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylazanium
CID 9045712
[2-(2,5-difluoroanilino)-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylazanium
CID 9045612
(2,4-dimethylphenyl)methyl-methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium
CID 8695773
[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylazanium
CID 9045154
[2-(2,6-dimethylanilino)-2-oxoethyl]-[2-(methoxycarbonylamino)-2-oxoethyl]-methylazanium
CID 9221931
[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylazanium
CID 9045973
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylazanium
CID 8695747
methyl N-[2-(2,4-dimethylphenyl)ethyl]carbamate
CID 110787753
(2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-(prop-2-ynylamino)ethyl]azanium
CID 8805826

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylphenyl)methyl-[2-(methoxycarbonylamino)-2-oxoethyl]-methylazanium?
The IUPAC name of (2,4-dimethylphenyl)methyl-[2-(methoxycarbonylamino)-2-oxoethyl]-methylazanium (CID 8695667) is (2,4-dimethylphenyl)methyl-[2-(methoxycarbonylamino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for (2,4-dimethylphenyl)methyl-[2-(methoxycarbonylamino)-2-oxoethyl]-methylazanium?
The canonical SMILES for (2,4-dimethylphenyl)methyl-[2-(methoxycarbonylamino)-2-oxoethyl]-methylazanium is COC(=O)NC(=O)C[NH+](C)Cc1ccc(C)cc1C.
What is the InChIKey of (2,4-dimethylphenyl)methyl-[2-(methoxycarbonylamino)-2-oxoethyl]-methylazanium?
The InChIKey is CLLXYERZYGPSEA-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H20N2O3/c1-10-5-6-12(11(2)7-10)8-16(3)9-13(17)15-14(18)19-4/h5-7H,8-9H2,1-4H3,(H,15,17,18)/p+1.
What are the key properties of (2,4-dimethylphenyl)methyl-[2-(methoxycarbonylamino)-2-oxoethyl]-methylazanium?
(2,4-dimethylphenyl)methyl-[2-(methoxycarbonylamino)-2-oxoethyl]-methylazanium has a molecular weight of 265.33 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylphenyl)methyl-[2-(methoxycarbonylamino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 8695667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).