methyl 2-cyclopropyl-2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoate

C18H25NO3 — CID 15767417

IUPACmethyl 2-cyclopropyl-2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoate
SMILESCOC(=O)C(C)(NC(=O)Cc1c(C)cc(C)cc1C)C1CC1
InChIInChI=1S/C18H25NO3/c1-11-8-12(2)15(13(3)9-11)10-16(20)19-18(4,14-6-7-14)17(21)22-5/h8-9,14H,6-7,10H2,1-5H3,(H,19,20)
InChIKeyQFSHVJICRWWUJT-UHFFFAOYSA-N
MW303.40 g/mol
LogP2.61
Rot. Bonds5

About methyl 2-cyclopropyl-2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoate

methyl 2-cyclopropyl-2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoate (PubChem CID 15767417) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is methyl 2-cyclopropyl-2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoate
PubChem CID15767417
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Namemethyl 2-cyclopropyl-2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoate
SMILESCOC(=O)C(C)(NC(=O)Cc1c(C)cc(C)cc1C)C1CC1
InChIInChI=1S/C18H25NO3/c1-11-8-12(2)15(13(3)9-11)10-16(20)19-18(4,14-6-7-14)17(21)22-5/h8-9,14H,6-7,10H2,1-5H3,(H,19,20)
InChIKeyQFSHVJICRWWUJT-UHFFFAOYSA-N
XLogP2.61
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-cyclopropyl-2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoate with MolForge

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Related Compounds

methyl 2-cyclohexyl-2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoate
CID 15767416
methyl 2-[[2-[2-bromo-6-chloro-4-(trifluoromethoxy)phenyl]acetyl]amino]-2-cyclopropylpropanoate
CID 58052049
methyl (2S)-2-hydroxy-2-methyl-3-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoate
CID 129358755
methyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-2-cyclohexylpropanoate
CID 23374248
methyl 2-cyclopropyl-2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]propanoate
CID 119041888
N-hydroxy-2-(2,4,6-trimethylphenyl)acetamide
CID 139860051
1-(4-methoxycyclohexyl)-2-(2,4,6-trimethylphenyl)ethanone
CID 70255424
4-tert-butyl-1-[[2-(2-methoxy-4,6-dimethylphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 54373494
2-[4-[[[2-(2,4,6-trimethylphenyl)acetyl]amino]methyl]cyclohexyl]acetic acid
CID 166380585
N-propan-2-yl-2-(2,4,6-trimethylphenyl)acetamide
CID 110767844
methyl 2-cyclopropyl-2-(cyclopropylmethylamino)propanoate
CID 61001123
N',N'-dimethyl-2-(2,4,6-trimethylphenyl)acetohydrazide
CID 116847434

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoate?
The IUPAC name of methyl 2-cyclopropyl-2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoate (CID 15767417) is methyl 2-cyclopropyl-2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoate.
What is the SMILES notation for methyl 2-cyclopropyl-2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoate?
The canonical SMILES for methyl 2-cyclopropyl-2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoate is COC(=O)C(C)(NC(=O)Cc1c(C)cc(C)cc1C)C1CC1.
What is the InChIKey of methyl 2-cyclopropyl-2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoate?
The InChIKey is QFSHVJICRWWUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-11-8-12(2)15(13(3)9-11)10-16(20)19-18(4,14-6-7-14)17(21)22-5/h8-9,14H,6-7,10H2,1-5H3,(H,19,20).
What are the key properties of methyl 2-cyclopropyl-2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoate?
methyl 2-cyclopropyl-2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoate has a molecular weight of 303.40 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoate is sourced from PubChem (CID 15767417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).