methyl 2-(3-propan-2-yloxyanilino)acetate

C12H17NO3 — CID 19829935

IUPACmethyl 2-(3-propan-2-yloxyanilino)acetate
SMILESCOC(=O)CNc1cccc(OC(C)C)c1
InChIInChI=1S/C12H17NO3/c1-9(2)16-11-6-4-5-10(7-11)13-8-12(14)15-3/h4-7,9,13H,8H2,1-3H3
InChIKeySZIHBHHPKNMDED-UHFFFAOYSA-N
MW223.27 g/mol
LogP2.06
Rot. Bonds5

About methyl 2-(3-propan-2-yloxyanilino)acetate

methyl 2-(3-propan-2-yloxyanilino)acetate (PubChem CID 19829935) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is methyl 2-(3-propan-2-yloxyanilino)acetate.

Molecular Properties

Compound Namemethyl 2-(3-propan-2-yloxyanilino)acetate
PubChem CID19829935
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Namemethyl 2-(3-propan-2-yloxyanilino)acetate
SMILESCOC(=O)CNc1cccc(OC(C)C)c1
InChIInChI=1S/C12H17NO3/c1-9(2)16-11-6-4-5-10(7-11)13-8-12(14)15-3/h4-7,9,13H,8H2,1-3H3
InChIKeySZIHBHHPKNMDED-UHFFFAOYSA-N
XLogP2.06
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-propan-2-yloxyanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 54829870
methyl 2-(3-propan-2-ylanilino)acetate
CID 20824069
N-[2-methyl-3-[[2-(3-propan-2-yloxyanilino)acetyl]amino]phenyl]propanamide
CID 54830253
N-(4-chlorophenyl)-2-(3-propan-2-yloxyanilino)acetamide
CID 54829967
methyl 2-[4-[3-[4-[(2-methoxy-2-oxoethyl)amino]phenoxy]phenoxy]anilino]acetate
CID 1381394
methyl 2-(3-iodoanilino)acetate
CID 19829858
methyl 2-[3-[2-(dimethylamino)-2-oxoethoxy]anilino]acetate
CID 52704348
2-amino-N-(3-propan-2-yloxyphenyl)acetamide
CID 39242033
N-(4-ethoxyphenyl)-2-(3-propan-2-yloxyanilino)acetamide
CID 54830003
2-(3-propan-2-yloxyanilino)-N-(2,4,5-trichlorophenyl)acetamide
CID 54829901
methyl 3-[(2-methoxy-2-oxoethyl)amino]benzoate
CID 22080521
N-(3-chloro-2-methylphenyl)-2-(3-propan-2-yloxyanilino)acetamide
CID 54830208

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-propan-2-yloxyanilino)acetate?
The IUPAC name of methyl 2-(3-propan-2-yloxyanilino)acetate (CID 19829935) is methyl 2-(3-propan-2-yloxyanilino)acetate.
What is the SMILES notation for methyl 2-(3-propan-2-yloxyanilino)acetate?
The canonical SMILES for methyl 2-(3-propan-2-yloxyanilino)acetate is COC(=O)CNc1cccc(OC(C)C)c1.
What is the InChIKey of methyl 2-(3-propan-2-yloxyanilino)acetate?
The InChIKey is SZIHBHHPKNMDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-9(2)16-11-6-4-5-10(7-11)13-8-12(14)15-3/h4-7,9,13H,8H2,1-3H3.
What are the key properties of methyl 2-(3-propan-2-yloxyanilino)acetate?
methyl 2-(3-propan-2-yloxyanilino)acetate has a molecular weight of 223.27 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-propan-2-yloxyanilino)acetate is sourced from PubChem (CID 19829935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).