methyl 2-(N-methyl-4-propan-2-ylanilino)acetate

C13H19NO2 — CID 115232732

IUPACmethyl 2-(N-methyl-4-propan-2-ylanilino)acetate
SMILESCOC(=O)CN(C)c1ccc(C(C)C)cc1
InChIInChI=1S/C13H19NO2/c1-10(2)11-5-7-12(8-6-11)14(3)9-13(15)16-4/h5-8,10H,9H2,1-4H3
InChIKeyWFGWZTHPGZTBPQ-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.42
Rot. Bonds4

About methyl 2-(N-methyl-4-propan-2-ylanilino)acetate

methyl 2-(N-methyl-4-propan-2-ylanilino)acetate (PubChem CID 115232732) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is methyl 2-(N-methyl-4-propan-2-ylanilino)acetate.

Molecular Properties

Compound Namemethyl 2-(N-methyl-4-propan-2-ylanilino)acetate
PubChem CID115232732
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Namemethyl 2-(N-methyl-4-propan-2-ylanilino)acetate
SMILESCOC(=O)CN(C)c1ccc(C(C)C)cc1
InChIInChI=1S/C13H19NO2/c1-10(2)11-5-7-12(8-6-11)14(3)9-13(15)16-4/h5-8,10H,9H2,1-4H3
InChIKeyWFGWZTHPGZTBPQ-UHFFFAOYSA-N
XLogP2.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-(N-methyl-4-propan-2-ylanilino)acetic acid
CID 82113002
methyl 3-(dimethylamino)-3-(4-propan-2-ylphenyl)propanoate
CID 116910166
methyl 2-(4-ethoxy-N-methylanilino)acetate
CID 115232761
methyl 2,2-dimethyl-3-(N-methyl-4-propan-2-ylanilino)propanoate
CID 115233613
3-(N-methyl-4-propan-2-ylanilino)propanoic acid
CID 17244983
2-(N,4-dimethylanilino)-1-(4-propan-2-ylphenyl)ethanone
CID 63567372
2-[4-(1-hydroxyethyl)-N-methylanilino]-N-methylacetamide
CID 43506218
methyl 2-(N-methyl-4-propan-2-ylanilino)-2-oxoacetate
CID 115142231
methyl 2-[2,3-dihydro-1,4-benzodioxin-6-yl(methyl)amino]acetate
CID 115232740
4-(N-methyl-4-propan-2-ylanilino)butanoic acid
CID 100518153
methyl 3-amino-3-(4-propan-2-ylphenyl)propanoate;hydrochloride
CID 137346948
5-(N-methyl-4-propan-2-ylanilino)pentanoic acid
CID 115218927

Frequently Asked Questions

What is the IUPAC name of methyl 2-(N-methyl-4-propan-2-ylanilino)acetate?
The IUPAC name of methyl 2-(N-methyl-4-propan-2-ylanilino)acetate (CID 115232732) is methyl 2-(N-methyl-4-propan-2-ylanilino)acetate.
What is the SMILES notation for methyl 2-(N-methyl-4-propan-2-ylanilino)acetate?
The canonical SMILES for methyl 2-(N-methyl-4-propan-2-ylanilino)acetate is COC(=O)CN(C)c1ccc(C(C)C)cc1.
What is the InChIKey of methyl 2-(N-methyl-4-propan-2-ylanilino)acetate?
The InChIKey is WFGWZTHPGZTBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10(2)11-5-7-12(8-6-11)14(3)9-13(15)16-4/h5-8,10H,9H2,1-4H3.
What are the key properties of methyl 2-(N-methyl-4-propan-2-ylanilino)acetate?
methyl 2-(N-methyl-4-propan-2-ylanilino)acetate has a molecular weight of 221.30 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(N-methyl-4-propan-2-ylanilino)acetate is sourced from PubChem (CID 115232732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).