propan-2-yl 2-amino-3-(2-methoxyethoxy)-5-methylbenzoate

C14H21NO4 — CID 60856722

IUPACpropan-2-yl 2-amino-3-(2-methoxyethoxy)-5-methylbenzoate
SMILESCOCCOc1cc(C)cc(C(=O)OC(C)C)c1N
InChIInChI=1S/C14H21NO4/c1-9(2)19-14(16)11-7-10(3)8-12(13(11)15)18-6-5-17-4/h7-9H,5-6,15H2,1-4H3
InChIKeyYRQBXIHSFCDTCP-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.17
Rot. Bonds6

About propan-2-yl 2-amino-3-(2-methoxyethoxy)-5-methylbenzoate

propan-2-yl 2-amino-3-(2-methoxyethoxy)-5-methylbenzoate (PubChem CID 60856722) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is propan-2-yl 2-amino-3-(2-methoxyethoxy)-5-methylbenzoate.

Molecular Properties

Compound Namepropan-2-yl 2-amino-3-(2-methoxyethoxy)-5-methylbenzoate
PubChem CID60856722
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Namepropan-2-yl 2-amino-3-(2-methoxyethoxy)-5-methylbenzoate
SMILESCOCCOc1cc(C)cc(C(=O)OC(C)C)c1N
InChIInChI=1S/C14H21NO4/c1-9(2)19-14(16)11-7-10(3)8-12(13(11)15)18-6-5-17-4/h7-9H,5-6,15H2,1-4H3
InChIKeyYRQBXIHSFCDTCP-UHFFFAOYSA-N
XLogP2.17
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

propan-2-yl 2-amino-3-bromo-5-methylbenzoate
CID 60835807
propan-2-yl 2-amino-3-fluoro-5-methylbenzoate
CID 60835805
ethyl 2-amino-3-methoxy-5-methylbenzoate
CID 54595934
1-methoxypropan-2-yl 2-amino-5-methyl-3-nitrobenzoate
CID 81443238
butan-2-yl 2-amino-3,5-dimethylbenzoate
CID 63112676
2-amino-3-methoxy-5-methylbenzoate
CID 9442555
methyl 2-amino-3,5-dimethylbenzoate
CID 10702497
(1-ethoxy-1-oxopropan-2-yl) 2-amino-3,5-dimethoxybenzoate
CID 115626344
ethane;ethyl 2-amino-4,5-bis(2-methoxyethoxy)benzoate
CID 143274795
methyl 2-amino-5-methoxy-4-(2-methoxyethoxy)benzoate
CID 66876535
3-(2-methoxyethoxy)propyl 2-amino-3,5-dimethylbenzoate
CID 103403066
dimethyl 4-methoxy-5-(2-methoxyethoxy)benzene-1,2-dicarboxylate
CID 59569387

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-amino-3-(2-methoxyethoxy)-5-methylbenzoate?
The IUPAC name of propan-2-yl 2-amino-3-(2-methoxyethoxy)-5-methylbenzoate (CID 60856722) is propan-2-yl 2-amino-3-(2-methoxyethoxy)-5-methylbenzoate.
What is the SMILES notation for propan-2-yl 2-amino-3-(2-methoxyethoxy)-5-methylbenzoate?
The canonical SMILES for propan-2-yl 2-amino-3-(2-methoxyethoxy)-5-methylbenzoate is COCCOc1cc(C)cc(C(=O)OC(C)C)c1N.
What is the InChIKey of propan-2-yl 2-amino-3-(2-methoxyethoxy)-5-methylbenzoate?
The InChIKey is YRQBXIHSFCDTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-9(2)19-14(16)11-7-10(3)8-12(13(11)15)18-6-5-17-4/h7-9H,5-6,15H2,1-4H3.
What are the key properties of propan-2-yl 2-amino-3-(2-methoxyethoxy)-5-methylbenzoate?
propan-2-yl 2-amino-3-(2-methoxyethoxy)-5-methylbenzoate has a molecular weight of 267.32 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-amino-3-(2-methoxyethoxy)-5-methylbenzoate is sourced from PubChem (CID 60856722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).