[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylazanium

C17H28N3O2+ — CID 9045907

IUPAC[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylazanium
SMILESCC[C@@H](C)NC(=O)NC(=O)C[NH+](C)Cc1ccc(C)cc1C
InChIInChI=1S/C17H27N3O2/c1-6-14(4)18-17(22)19-16(21)11-20(5)10-15-8-7-12(2)9-13(15)3/h7-9,14H,6,10-11H2,1-5H3,(H2,18,19,21,22)/p+1/t14-/m1/s1
InChIKeySDJBQRVSQWJENS-CQSZACIVSA-O
MW306.43 g/mol
LogP0.94
Rot. Bonds6

About [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylazanium

[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylazanium (PubChem CID 9045907) has the molecular formula C17H28N3O2+ and a molecular weight of 306.43 g/mol. Its IUPAC name is [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylazanium.

Molecular Properties

Compound Name[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylazanium
PubChem CID9045907
Molecular FormulaC17H28N3O2+
Molecular Weight306.43 g/mol
Exact Mass306.22
IUPAC Name[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylazanium
SMILESCC[C@@H](C)NC(=O)NC(=O)C[NH+](C)Cc1ccc(C)cc1C
InChIInChI=1S/C17H27N3O2/c1-6-14(4)18-17(22)19-16(21)11-20(5)10-15-8-7-12(2)9-13(15)3/h7-9,14H,6,10-11H2,1-5H3,(H2,18,19,21,22)/p+1/t14-/m1/s1
InChIKeySDJBQRVSQWJENS-CQSZACIVSA-O
XLogP0.94
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylazanium with MolForge

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Related Compounds

[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 9338595
(2,4-dimethylphenyl)methyl-[2-(methoxycarbonylamino)-2-oxoethyl]-methylazanium
CID 8695667
N-[[(2R)-butan-2-yl]carbamoyl]-2-[(2,4-dimethylphenyl)methyl-methylamino]acetamide
CID 9045908
N-[[(2S)-butan-2-yl]carbamoyl]-2-[(2,4-dimethylphenyl)methyl-methylamino]acetamide
CID 9045913
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl]-[(4-ethylphenyl)methyl]-methylazanium
CID 8907739
N-[(2S)-butan-2-yl]-2-(2,4-dimethylphenyl)acetamide
CID 95875267
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl]-[(4-methoxyphenyl)methyl]-methylazanium
CID 8761112
1-butan-2-yl-3-[2-(2,4-dimethylphenyl)ethyl]urea
CID 60590409
[2-(2,6-dimethylanilino)-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylazanium
CID 9045226
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium
CID 9432499
N-[[(2S)-butan-2-yl]carbamoyl]-2-(4-methylphenoxy)acetamide
CID 7817259
(2,4-dimethylphenyl)methyl-[2-(2-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9045473

Frequently Asked Questions

What is the IUPAC name of [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylazanium?
The IUPAC name of [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylazanium (CID 9045907) is [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylazanium.
What is the SMILES notation for [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylazanium?
The canonical SMILES for [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylazanium is CC[C@@H](C)NC(=O)NC(=O)C[NH+](C)Cc1ccc(C)cc1C.
What is the InChIKey of [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylazanium?
The InChIKey is SDJBQRVSQWJENS-CQSZACIVSA-O. The full InChI is InChI=1S/C17H27N3O2/c1-6-14(4)18-17(22)19-16(21)11-20(5)10-15-8-7-12(2)9-13(15)3/h7-9,14H,6,10-11H2,1-5H3,(H2,18,19,21,22)/p+1/t14-/m1/s1.
What are the key properties of [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylazanium?
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylazanium has a molecular weight of 306.43 g/mol, XLogP of 0.94, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylazanium is sourced from PubChem (CID 9045907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).