methyl 2-amino-4-methoxy-5-(1-morpholin-3-ylpropoxy)benzoate

C16H24N2O5 — CID 175015986

IUPACmethyl 2-amino-4-methoxy-5-(1-morpholin-3-ylpropoxy)benzoate
SMILESCCC(Oc1cc(C(=O)OC)c(N)cc1OC)C1COCCN1
InChIInChI=1S/C16H24N2O5/c1-4-13(12-9-22-6-5-18-12)23-15-7-10(16(19)21-3)11(17)8-14(15)20-2/h7-8,12-13,18H,4-6,9,17H2,1-3H3
InChIKeyHJNUCYLJDJDIEE-UHFFFAOYSA-N
MW324.38 g/mol
LogP1.21
Rot. Bonds6

About methyl 2-amino-4-methoxy-5-(1-morpholin-3-ylpropoxy)benzoate

methyl 2-amino-4-methoxy-5-(1-morpholin-3-ylpropoxy)benzoate (PubChem CID 175015986) has the molecular formula C16H24N2O5 and a molecular weight of 324.38 g/mol. Its IUPAC name is methyl 2-amino-4-methoxy-5-(1-morpholin-3-ylpropoxy)benzoate.

Molecular Properties

Compound Namemethyl 2-amino-4-methoxy-5-(1-morpholin-3-ylpropoxy)benzoate
PubChem CID175015986
Molecular FormulaC16H24N2O5
Molecular Weight324.38 g/mol
Exact Mass324.17
IUPAC Namemethyl 2-amino-4-methoxy-5-(1-morpholin-3-ylpropoxy)benzoate
SMILESCCC(Oc1cc(C(=O)OC)c(N)cc1OC)C1COCCN1
InChIInChI=1S/C16H24N2O5/c1-4-13(12-9-22-6-5-18-12)23-15-7-10(16(19)21-3)11(17)8-14(15)20-2/h7-8,12-13,18H,4-6,9,17H2,1-3H3
InChIKeyHJNUCYLJDJDIEE-UHFFFAOYSA-N
XLogP1.21
TPSA92.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-amino-4-methoxy-5-(oxolan-3-yloxy)benzoate
CID 167227648
methyl 2-amino-4-methoxy-5-propan-2-yloxybenzoate
CID 84799543
methyl 2,5-diamino-4-methoxybenzoate
CID 171030789
3-fluoro-4-[6-methoxy-7-(1-morpholin-3-ylpropoxy)quinolin-4-yl]oxyaniline
CID 90283838
methyl 2-amino-4,5-di(propan-2-yloxy)benzoate
CID 82553168
methyl 2-(2,5-dimethylpyrazol-3-yl)-8-(1-morpholin-3-ylpropoxy)-9H-pyrimido[4,5-b]indole-6-carboxylate
CID 175116856
methyl 2-amino-5-methoxy-4-(2-methoxyethoxy)benzoate
CID 66876535
2-amino-4,5-dimethoxy-N-(oxolan-3-yl)benzamide
CID 80716754
2-amino-4,5-dimethoxy-N-(oxan-3-ylmethyl)benzamide
CID 61140420
2-amino-4,5-dimethoxy-N-methylbenzohydrazide
CID 145124941
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]morpholine-3-carboxamide
CID 119771820
N-(3-ethyl-4-methoxyphenyl)morpholine-3-carboxamide
CID 115177545

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-methoxy-5-(1-morpholin-3-ylpropoxy)benzoate?
The IUPAC name of methyl 2-amino-4-methoxy-5-(1-morpholin-3-ylpropoxy)benzoate (CID 175015986) is methyl 2-amino-4-methoxy-5-(1-morpholin-3-ylpropoxy)benzoate.
What is the SMILES notation for methyl 2-amino-4-methoxy-5-(1-morpholin-3-ylpropoxy)benzoate?
The canonical SMILES for methyl 2-amino-4-methoxy-5-(1-morpholin-3-ylpropoxy)benzoate is CCC(Oc1cc(C(=O)OC)c(N)cc1OC)C1COCCN1.
What is the InChIKey of methyl 2-amino-4-methoxy-5-(1-morpholin-3-ylpropoxy)benzoate?
The InChIKey is HJNUCYLJDJDIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5/c1-4-13(12-9-22-6-5-18-12)23-15-7-10(16(19)21-3)11(17)8-14(15)20-2/h7-8,12-13,18H,4-6,9,17H2,1-3H3.
What are the key properties of methyl 2-amino-4-methoxy-5-(1-morpholin-3-ylpropoxy)benzoate?
methyl 2-amino-4-methoxy-5-(1-morpholin-3-ylpropoxy)benzoate has a molecular weight of 324.38 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-methoxy-5-(1-morpholin-3-ylpropoxy)benzoate is sourced from PubChem (CID 175015986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).