methyl 2-amino-5-[2-[di(propan-2-yl)amino]ethoxy]benzoate

C16H26N2O3 — CID 115505666

IUPACmethyl 2-amino-5-[2-[di(propan-2-yl)amino]ethoxy]benzoate
SMILESCOC(=O)c1cc(OCCN(C(C)C)C(C)C)ccc1N
InChIInChI=1S/C16H26N2O3/c1-11(2)18(12(3)4)8-9-21-13-6-7-15(17)14(10-13)16(19)20-5/h6-7,10-12H,8-9,17H2,1-5H3
InChIKeyREORWBWTVZLSPF-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.55
Rot. Bonds7

About methyl 2-amino-5-[2-[di(propan-2-yl)amino]ethoxy]benzoate

methyl 2-amino-5-[2-[di(propan-2-yl)amino]ethoxy]benzoate (PubChem CID 115505666) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is methyl 2-amino-5-[2-[di(propan-2-yl)amino]ethoxy]benzoate.

Molecular Properties

Compound Namemethyl 2-amino-5-[2-[di(propan-2-yl)amino]ethoxy]benzoate
PubChem CID115505666
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Namemethyl 2-amino-5-[2-[di(propan-2-yl)amino]ethoxy]benzoate
SMILESCOC(=O)c1cc(OCCN(C(C)C)C(C)C)ccc1N
InChIInChI=1S/C16H26N2O3/c1-11(2)18(12(3)4)8-9-21-13-6-7-15(17)14(10-13)16(19)20-5/h6-7,10-12H,8-9,17H2,1-5H3
InChIKeyREORWBWTVZLSPF-UHFFFAOYSA-N
XLogP2.55
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-[2-[di(propan-2-yl)amino]ethoxy]benzamide
CID 115505667
methyl 2-amino-5-[(4-methoxyphenyl)methoxy]benzoate
CID 61305630
methyl 2-amino-5-propan-2-yloxybenzoate
CID 13052308
methyl 2-amino-5-[4-[2-(dimethylamino)ethoxy]phenyl]benzoate
CID 82572923
methyl 2-amino-5-methoxybenzoate
CID 13052275
ethyl 2-amino-5-[2-(dimethylamino)ethoxy]benzoate
CID 61306548
4-(4-amino-3-methoxycarbonylphenoxy)butanoic acid;2,2,2-trifluoroacetic acid
CID 170357258
ethyl 2-amino-5-(3-methylbutoxy)benzoate
CID 61307572
methyl 2-amino-4-(2-methoxyethoxy)benzoate
CID 166066284
methyl 2-amino-5-(1,1,1-trifluoropropan-2-yloxy)benzoate
CID 66276994
2-amino-5-(2-methoxyethoxy)benzoic acid
CID 12719199
ethyl 2-amino-5-(2-propan-2-yloxyethoxy)benzoate
CID 61307579

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-[2-[di(propan-2-yl)amino]ethoxy]benzoate?
The IUPAC name of methyl 2-amino-5-[2-[di(propan-2-yl)amino]ethoxy]benzoate (CID 115505666) is methyl 2-amino-5-[2-[di(propan-2-yl)amino]ethoxy]benzoate.
What is the SMILES notation for methyl 2-amino-5-[2-[di(propan-2-yl)amino]ethoxy]benzoate?
The canonical SMILES for methyl 2-amino-5-[2-[di(propan-2-yl)amino]ethoxy]benzoate is COC(=O)c1cc(OCCN(C(C)C)C(C)C)ccc1N.
What is the InChIKey of methyl 2-amino-5-[2-[di(propan-2-yl)amino]ethoxy]benzoate?
The InChIKey is REORWBWTVZLSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-11(2)18(12(3)4)8-9-21-13-6-7-15(17)14(10-13)16(19)20-5/h6-7,10-12H,8-9,17H2,1-5H3.
What are the key properties of methyl 2-amino-5-[2-[di(propan-2-yl)amino]ethoxy]benzoate?
methyl 2-amino-5-[2-[di(propan-2-yl)amino]ethoxy]benzoate has a molecular weight of 294.39 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-[2-[di(propan-2-yl)amino]ethoxy]benzoate is sourced from PubChem (CID 115505666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).