methyl 4-hydroxy-3-[(3-propoxybenzoyl)amino]benzoate

C18H19NO5 — CID 100739583

IUPACmethyl 4-hydroxy-3-[(3-propoxybenzoyl)amino]benzoate
SMILESCCCOc1cccc(C(=O)Nc2cc(C(=O)OC)ccc2O)c1
InChIInChI=1S/C18H19NO5/c1-3-9-24-14-6-4-5-12(10-14)17(21)19-15-11-13(18(22)23-2)7-8-16(15)20/h4-8,10-11,20H,3,9H2,1-2H3,(H,19,21)
InChIKeyWPSRPCVXNMEXNK-UHFFFAOYSA-N
MW329.35 g/mol
LogP3.22
Rot. Bonds6

About methyl 4-hydroxy-3-[(3-propoxybenzoyl)amino]benzoate

methyl 4-hydroxy-3-[(3-propoxybenzoyl)amino]benzoate (PubChem CID 100739583) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is methyl 4-hydroxy-3-[(3-propoxybenzoyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-hydroxy-3-[(3-propoxybenzoyl)amino]benzoate
PubChem CID100739583
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Namemethyl 4-hydroxy-3-[(3-propoxybenzoyl)amino]benzoate
SMILESCCCOc1cccc(C(=O)Nc2cc(C(=O)OC)ccc2O)c1
InChIInChI=1S/C18H19NO5/c1-3-9-24-14-6-4-5-12(10-14)17(21)19-15-11-13(18(22)23-2)7-8-16(15)20/h4-8,10-11,20H,3,9H2,1-2H3,(H,19,21)
InChIKeyWPSRPCVXNMEXNK-UHFFFAOYSA-N
XLogP3.22
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[(3-propoxybenzoyl)amino]benzoate
CID 2293242
N-(5-tert-butyl-2-hydroxyphenyl)-3-(3-methoxypropoxy)benzamide
CID 139011848
N-(2-chloro-4-hydroxyphenyl)-3-propoxybenzamide
CID 64789293
2-hydroxy-5-[(3-propoxybenzoyl)amino]benzoic acid
CID 28672191
methyl 3-octoxybenzoate
CID 72706029
N-(5-tert-butyl-2-hydroxyphenyl)-3-ethoxybenzamide
CID 29262316
methyl 3-bromo-4-(3-propoxybenzoyl)oxybenzoate
CID 23012545
N-(4-bromo-2-methylphenyl)-3-propoxybenzamide
CID 2293914
N-[2-(methanesulfonamido)phenyl]-3-propoxybenzamide
CID 51088953
2-[3-[(3-ethoxybenzoyl)amino]-4-hydroxyphenyl]acetic acid
CID 108741732
3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
CID 4960567
3-ethoxy-N-(3-propoxyphenyl)benzamide
CID 17096771

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-3-[(3-propoxybenzoyl)amino]benzoate?
The IUPAC name of methyl 4-hydroxy-3-[(3-propoxybenzoyl)amino]benzoate (CID 100739583) is methyl 4-hydroxy-3-[(3-propoxybenzoyl)amino]benzoate.
What is the SMILES notation for methyl 4-hydroxy-3-[(3-propoxybenzoyl)amino]benzoate?
The canonical SMILES for methyl 4-hydroxy-3-[(3-propoxybenzoyl)amino]benzoate is CCCOc1cccc(C(=O)Nc2cc(C(=O)OC)ccc2O)c1.
What is the InChIKey of methyl 4-hydroxy-3-[(3-propoxybenzoyl)amino]benzoate?
The InChIKey is WPSRPCVXNMEXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5/c1-3-9-24-14-6-4-5-12(10-14)17(21)19-15-11-13(18(22)23-2)7-8-16(15)20/h4-8,10-11,20H,3,9H2,1-2H3,(H,19,21).
What are the key properties of methyl 4-hydroxy-3-[(3-propoxybenzoyl)amino]benzoate?
methyl 4-hydroxy-3-[(3-propoxybenzoyl)amino]benzoate has a molecular weight of 329.35 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-3-[(3-propoxybenzoyl)amino]benzoate is sourced from PubChem (CID 100739583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).