methyl 3-[[2-(2-chlorophenyl)acetyl]amino]-2,2-dimethylpropanoate

C14H18ClNO3 — CID 113254769

IUPACmethyl 3-[[2-(2-chlorophenyl)acetyl]amino]-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)CNC(=O)Cc1ccccc1Cl
InChIInChI=1S/C14H18ClNO3/c1-14(2,13(18)19-3)9-16-12(17)8-10-6-4-5-7-11(10)15/h4-7H,8-9H2,1-3H3,(H,16,17)
InChIKeyMYDUAAWKUMBRAE-UHFFFAOYSA-N
MW283.75 g/mol
LogP2.20
Rot. Bonds5

About methyl 3-[[2-(2-chlorophenyl)acetyl]amino]-2,2-dimethylpropanoate

methyl 3-[[2-(2-chlorophenyl)acetyl]amino]-2,2-dimethylpropanoate (PubChem CID 113254769) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is methyl 3-[[2-(2-chlorophenyl)acetyl]amino]-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-[[2-(2-chlorophenyl)acetyl]amino]-2,2-dimethylpropanoate
PubChem CID113254769
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Namemethyl 3-[[2-(2-chlorophenyl)acetyl]amino]-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)CNC(=O)Cc1ccccc1Cl
InChIInChI=1S/C14H18ClNO3/c1-14(2,13(18)19-3)9-16-12(17)8-10-6-4-5-7-11(10)15/h4-7H,8-9H2,1-3H3,(H,16,17)
InChIKeyMYDUAAWKUMBRAE-UHFFFAOYSA-N
XLogP2.20
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)acetamide
CID 90500955
2-(2-chlorophenyl)-N-(2-hydroxy-2-methylbutyl)acetamide
CID 65114916
2-(2-chlorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)acetamide
CID 90498486
2-(2-chlorophenyl)-N-(2-oxopropyl)acetamide
CID 64996556
2-(2-chlorophenyl)-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 9224527
2-[[[2-(2-chlorophenyl)acetyl]amino]methyl]-4,4-dimethylpentanoic acid
CID 107473834
N-(2-aminoethyl)-2-(2-chlorophenyl)acetamide
CID 12841728
N-(2-bromopropyl)-2-(2-chlorophenyl)acetamide
CID 114308630
methyl 2,2-dimethyl-3-(naphthalen-1-ylmethylamino)propanoate
CID 79623968
methyl 3-[(2-amino-2-phenylacetyl)amino]-2,2-dimethylpropanoate
CID 119326915
N-[(2-chlorophenyl)methyl]-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide
CID 108959459
2-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 9242490

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(2-chlorophenyl)acetyl]amino]-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-[[2-(2-chlorophenyl)acetyl]amino]-2,2-dimethylpropanoate (CID 113254769) is methyl 3-[[2-(2-chlorophenyl)acetyl]amino]-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-[[2-(2-chlorophenyl)acetyl]amino]-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-[[2-(2-chlorophenyl)acetyl]amino]-2,2-dimethylpropanoate is COC(=O)C(C)(C)CNC(=O)Cc1ccccc1Cl.
What is the InChIKey of methyl 3-[[2-(2-chlorophenyl)acetyl]amino]-2,2-dimethylpropanoate?
The InChIKey is MYDUAAWKUMBRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-14(2,13(18)19-3)9-16-12(17)8-10-6-4-5-7-11(10)15/h4-7H,8-9H2,1-3H3,(H,16,17).
What are the key properties of methyl 3-[[2-(2-chlorophenyl)acetyl]amino]-2,2-dimethylpropanoate?
methyl 3-[[2-(2-chlorophenyl)acetyl]amino]-2,2-dimethylpropanoate has a molecular weight of 283.75 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(2-chlorophenyl)acetyl]amino]-2,2-dimethylpropanoate is sourced from PubChem (CID 113254769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).