methyl 2-[(4-propan-2-ylbenzoyl)amino]acetate

C13H17NO3 — CID 43404732

IUPACmethyl 2-[(4-propan-2-ylbenzoyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C13H17NO3/c1-9(2)10-4-6-11(7-5-10)13(16)14-8-12(15)17-3/h4-7,9H,8H2,1-3H3,(H,14,16)
InChIKeyQICQQQPKHRJFMB-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.71
Rot. Bonds4

About methyl 2-[(4-propan-2-ylbenzoyl)amino]acetate

methyl 2-[(4-propan-2-ylbenzoyl)amino]acetate (PubChem CID 43404732) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is methyl 2-[(4-propan-2-ylbenzoyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-propan-2-ylbenzoyl)amino]acetate
PubChem CID43404732
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Namemethyl 2-[(4-propan-2-ylbenzoyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C13H17NO3/c1-9(2)10-4-6-11(7-5-10)13(16)14-8-12(15)17-3/h4-7,9H,8H2,1-3H3,(H,14,16)
InChIKeyQICQQQPKHRJFMB-UHFFFAOYSA-N
XLogP1.71
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,3-dimethyl-2-oxobutyl)-4-propan-2-ylbenzamide
CID 64992078
methyl 4-[2-[(4-propan-2-ylbenzoyl)amino]acetyl]benzoate
CID 164863189
2-[[2-[(4-propan-2-ylbenzoyl)amino]acetyl]amino]acetic acid
CID 43387473
methyl 2-[[4-(dimethylamino)benzoyl]amino]acetate
CID 27682246
methyl 2-hydroxy-3-[(4-propan-2-ylbenzoyl)amino]propanoate
CID 103879142
methyl 2-[[4-(2-methylbutanoylamino)benzoyl]amino]acetate
CID 46569462
N-(2,2-dimethylpropyl)-4-propan-2-ylbenzamide;molecular hydrogen
CID 169133122
N-(2-amino-2-methylpropyl)-4-propan-2-ylbenzamide;hydrochloride
CID 119630213
2-ethyl-2-[[(4-propan-2-ylbenzoyl)amino]methyl]butanoic acid
CID 115429720
N-(3-amino-2,2-dimethylpropyl)-4-propan-2-ylbenzamide
CID 115365755
(4-propan-2-ylphenyl) 2-[(3-methoxybenzoyl)amino]acetate
CID 110671065
methyl 2-[[4-(propanoylamino)benzoyl]amino]acetate
CID 2985304

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-propan-2-ylbenzoyl)amino]acetate?
The IUPAC name of methyl 2-[(4-propan-2-ylbenzoyl)amino]acetate (CID 43404732) is methyl 2-[(4-propan-2-ylbenzoyl)amino]acetate.
What is the SMILES notation for methyl 2-[(4-propan-2-ylbenzoyl)amino]acetate?
The canonical SMILES for methyl 2-[(4-propan-2-ylbenzoyl)amino]acetate is COC(=O)CNC(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of methyl 2-[(4-propan-2-ylbenzoyl)amino]acetate?
The InChIKey is QICQQQPKHRJFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-9(2)10-4-6-11(7-5-10)13(16)14-8-12(15)17-3/h4-7,9H,8H2,1-3H3,(H,14,16).
What are the key properties of methyl 2-[(4-propan-2-ylbenzoyl)amino]acetate?
methyl 2-[(4-propan-2-ylbenzoyl)amino]acetate has a molecular weight of 235.28 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-propan-2-ylbenzoyl)amino]acetate is sourced from PubChem (CID 43404732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).