methyl 4-[(2-hydroxy-4-methoxybenzoyl)-methylamino]butanoate

C14H19NO5 — CID 60715393

IUPACmethyl 4-[(2-hydroxy-4-methoxybenzoyl)-methylamino]butanoate
SMILESCOC(=O)CCCN(C)C(=O)c1ccc(OC)cc1O
InChIInChI=1S/C14H19NO5/c1-15(8-4-5-13(17)20-3)14(18)11-7-6-10(19-2)9-12(11)16/h6-7,9,16H,4-5,8H2,1-3H3
InChIKeyMWJWCUOCANVZTB-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.43
Rot. Bonds6

About methyl 4-[(2-hydroxy-4-methoxybenzoyl)-methylamino]butanoate

methyl 4-[(2-hydroxy-4-methoxybenzoyl)-methylamino]butanoate (PubChem CID 60715393) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is methyl 4-[(2-hydroxy-4-methoxybenzoyl)-methylamino]butanoate.

Molecular Properties

Compound Namemethyl 4-[(2-hydroxy-4-methoxybenzoyl)-methylamino]butanoate
PubChem CID60715393
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Namemethyl 4-[(2-hydroxy-4-methoxybenzoyl)-methylamino]butanoate
SMILESCOC(=O)CCCN(C)C(=O)c1ccc(OC)cc1O
InChIInChI=1S/C14H19NO5/c1-15(8-4-5-13(17)20-3)14(18)11-7-6-10(19-2)9-12(11)16/h6-7,9,16H,4-5,8H2,1-3H3
InChIKeyMWJWCUOCANVZTB-UHFFFAOYSA-N
XLogP1.43
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(dimethylamino)propyl]-2-hydroxy-5-methoxy-N-methylbenzamide
CID 63699177
2-[(2-hydroxy-4-methoxybenzoyl)-methylamino]acetic acid
CID 24711323
methyl 3-[(3-hydroxynaphthalene-2-carbonyl)-methylamino]propanoate
CID 61030402
N-(5-chloropentyl)-2-hydroxy-5-methoxy-N-methylbenzamide
CID 107205727
methyl 4-[(4-chloro-2-methylbenzoyl)-methylamino]butanoate
CID 103777319
ethane;2-hydroxy-4-methoxy-N,N-dimethylbenzamide
CID 144990982
methyl 4-[(4-amino-2-chlorobenzoyl)-methylamino]butanoate
CID 61109630
2-hydroxy-4-methoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 30604031
2-amino-4-methoxy-N-methyl-N-pentylbenzamide
CID 113305128
methyl 4-[(5-amino-2-methylbenzoyl)-methylamino]butanoate
CID 61290799
methyl 4-[(5-amino-2,4-dimethylbenzoyl)-methylamino]butanoate
CID 102705214
2-hydroxy-4-methoxy-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 38560370

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-hydroxy-4-methoxybenzoyl)-methylamino]butanoate?
The IUPAC name of methyl 4-[(2-hydroxy-4-methoxybenzoyl)-methylamino]butanoate (CID 60715393) is methyl 4-[(2-hydroxy-4-methoxybenzoyl)-methylamino]butanoate.
What is the SMILES notation for methyl 4-[(2-hydroxy-4-methoxybenzoyl)-methylamino]butanoate?
The canonical SMILES for methyl 4-[(2-hydroxy-4-methoxybenzoyl)-methylamino]butanoate is COC(=O)CCCN(C)C(=O)c1ccc(OC)cc1O.
What is the InChIKey of methyl 4-[(2-hydroxy-4-methoxybenzoyl)-methylamino]butanoate?
The InChIKey is MWJWCUOCANVZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-15(8-4-5-13(17)20-3)14(18)11-7-6-10(19-2)9-12(11)16/h6-7,9,16H,4-5,8H2,1-3H3.
What are the key properties of methyl 4-[(2-hydroxy-4-methoxybenzoyl)-methylamino]butanoate?
methyl 4-[(2-hydroxy-4-methoxybenzoyl)-methylamino]butanoate has a molecular weight of 281.31 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-hydroxy-4-methoxybenzoyl)-methylamino]butanoate is sourced from PubChem (CID 60715393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).