propan-2-yl 2-(N,2,4-trimethylanilino)acetate

C14H21NO2 — CID 60967713

IUPACpropan-2-yl 2-(N,2,4-trimethylanilino)acetate
SMILESCc1ccc(N(C)CC(=O)OC(C)C)c(C)c1
InChIInChI=1S/C14H21NO2/c1-10(2)17-14(16)9-15(5)13-7-6-11(3)8-12(13)4/h6-8,10H,9H2,1-5H3
InChIKeyCCDJAVHIBGWYNI-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.69
Rot. Bonds4

About propan-2-yl 2-(N,2,4-trimethylanilino)acetate

propan-2-yl 2-(N,2,4-trimethylanilino)acetate (PubChem CID 60967713) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is propan-2-yl 2-(N,2,4-trimethylanilino)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(N,2,4-trimethylanilino)acetate
PubChem CID60967713
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Namepropan-2-yl 2-(N,2,4-trimethylanilino)acetate
SMILESCc1ccc(N(C)CC(=O)OC(C)C)c(C)c1
InChIInChI=1S/C14H21NO2/c1-10(2)17-14(16)9-15(5)13-7-6-11(3)8-12(13)4/h6-8,10H,9H2,1-5H3
InChIKeyCCDJAVHIBGWYNI-UHFFFAOYSA-N
XLogP2.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-2-(N,2,4-trimethylanilino)ethanone
CID 63566477
propan-2-yl 3-(2,5-dimethylphenoxy)propanoate
CID 112722920
(2R)-2-(N,2,4-trimethylanilino)propanoic acid
CID 124508497
2-[[(2,4-dimethylphenyl)-methylcarbamoyl]-propan-2-ylamino]acetic acid
CID 62002506
3-amino-N-(2,4-dimethylphenyl)-N-methylbutanamide
CID 115154049
2-hydroxyethyl N-(2,4-dimethylphenyl)-N-methylcarbamate
CID 79349510
N'-(2,4-dimethylphenyl)-N,N'-dimethyl-2-methylidenepropane-1,3-diamine
CID 103070244
ethyl 3-oxo-3-(N,2,4-trimethylanilino)propanoate
CID 115138496
N-(3,3-diethoxypropyl)-N,2,4-trimethylaniline
CID 55248017
N-(3,4-dimethoxyphenyl)-2-(N,2,4-trimethylanilino)acetamide
CID 78903073
1-(3-chlorophenyl)-2-(N,2,4-trimethylanilino)ethanone
CID 63566298
propan-2-yl 2-(4-cyano-N-methylanilino)acetate
CID 62971958

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(N,2,4-trimethylanilino)acetate?
The IUPAC name of propan-2-yl 2-(N,2,4-trimethylanilino)acetate (CID 60967713) is propan-2-yl 2-(N,2,4-trimethylanilino)acetate.
What is the SMILES notation for propan-2-yl 2-(N,2,4-trimethylanilino)acetate?
The canonical SMILES for propan-2-yl 2-(N,2,4-trimethylanilino)acetate is Cc1ccc(N(C)CC(=O)OC(C)C)c(C)c1.
What is the InChIKey of propan-2-yl 2-(N,2,4-trimethylanilino)acetate?
The InChIKey is CCDJAVHIBGWYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10(2)17-14(16)9-15(5)13-7-6-11(3)8-12(13)4/h6-8,10H,9H2,1-5H3.
What are the key properties of propan-2-yl 2-(N,2,4-trimethylanilino)acetate?
propan-2-yl 2-(N,2,4-trimethylanilino)acetate has a molecular weight of 235.33 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(N,2,4-trimethylanilino)acetate is sourced from PubChem (CID 60967713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).