N-[[(2S)-butan-2-yl]carbamoyl]-2-[(2,4-dimethylphenyl)methyl-methylamino]acetamide

C17H27N3O2 — CID 9045913

IUPACN-[[(2S)-butan-2-yl]carbamoyl]-2-[(2,4-dimethylphenyl)methyl-methylamino]acetamide
SMILESCC[C@H](C)NC(=O)NC(=O)CN(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)/t14-/m0/s1
InChIKeySDJBQRVSQWJENS-AWEZNQCLSA-N
MW305.42 g/mol
LogP2.36
Rot. Bonds6

About N-[[(2S)-butan-2-yl]carbamoyl]-2-[(2,4-dimethylphenyl)methyl-methylamino]acetamide

N-[[(2S)-butan-2-yl]carbamoyl]-2-[(2,4-dimethylphenyl)methyl-methylamino]acetamide (PubChem CID 9045913) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[[(2S)-butan-2-yl]carbamoyl]-2-[(2,4-dimethylphenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-[[(2S)-butan-2-yl]carbamoyl]-2-[(2,4-dimethylphenyl)methyl-methylamino]acetamide
PubChem CID9045913
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN-[[(2S)-butan-2-yl]carbamoyl]-2-[(2,4-dimethylphenyl)methyl-methylamino]acetamide
SMILESCC[C@H](C)NC(=O)NC(=O)CN(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)/t14-/m0/s1
InChIKeySDJBQRVSQWJENS-AWEZNQCLSA-N
XLogP2.36
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[(2S)-butan-2-yl]carbamoyl]-2-[(2,4-dimethylphenyl)methyl-methylamino]acetamide with MolForge

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Related Compounds

N-[[(2R)-butan-2-yl]carbamoyl]-2-[(2,4-dimethylphenyl)methyl-methylamino]acetamide
CID 9045908
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl]-[(2,4-dimethylphenyl)methyl]-methylazanium
CID 9045907
N-[(2S)-butan-2-yl]-2-(2,4-dimethylphenyl)acetamide
CID 95875267
2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide
CID 18197627
1-butan-2-yl-3-[2-(2,4-dimethylphenyl)ethyl]urea
CID 60590409
N-[[(2S)-butan-2-yl]carbamoyl]-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 9251801
N-[[(2R)-butan-2-yl]carbamoyl]-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 9251798
2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(4-methylphenyl)acetamide
CID 9045250
N-(2,5-dimethylphenyl)-2-[(2,4-dimethylphenyl)methyl-methylamino]acetamide
CID 9045365
2-[(2,4-dimethylphenyl)methyl-methylamino]-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 8695736
N-[[(2R)-butan-2-yl]carbamoyl]-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8761110
N-[[(2R)-butan-2-yl]carbamoyl]-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 8799035

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-butan-2-yl]carbamoyl]-2-[(2,4-dimethylphenyl)methyl-methylamino]acetamide?
The IUPAC name of N-[[(2S)-butan-2-yl]carbamoyl]-2-[(2,4-dimethylphenyl)methyl-methylamino]acetamide (CID 9045913) is N-[[(2S)-butan-2-yl]carbamoyl]-2-[(2,4-dimethylphenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-[[(2S)-butan-2-yl]carbamoyl]-2-[(2,4-dimethylphenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-[[(2S)-butan-2-yl]carbamoyl]-2-[(2,4-dimethylphenyl)methyl-methylamino]acetamide is CC[C@H](C)NC(=O)NC(=O)CN(C)Cc1ccc(C)cc1C.
What is the InChIKey of N-[[(2S)-butan-2-yl]carbamoyl]-2-[(2,4-dimethylphenyl)methyl-methylamino]acetamide?
The InChIKey is SDJBQRVSQWJENS-AWEZNQCLSA-N. 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)/t14-/m0/s1.
What are the key properties of N-[[(2S)-butan-2-yl]carbamoyl]-2-[(2,4-dimethylphenyl)methyl-methylamino]acetamide?
N-[[(2S)-butan-2-yl]carbamoyl]-2-[(2,4-dimethylphenyl)methyl-methylamino]acetamide has a molecular weight of 305.42 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-butan-2-yl]carbamoyl]-2-[(2,4-dimethylphenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 9045913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).