methyl 3-formamido-4-propoxybenzoate

C12H15NO4 — CID 135191960

IUPACmethyl 3-formamido-4-propoxybenzoate
SMILESCCCOc1ccc(C(=O)OC)cc1NC=O
InChIInChI=1S/C12H15NO4/c1-3-6-17-11-5-4-9(12(15)16-2)7-10(11)13-8-14/h4-5,7-8H,3,6H2,1-2H3,(H,13,14)
InChIKeyYJJYIAGBOUGGAJ-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.83
Rot. Bonds6

About methyl 3-formamido-4-propoxybenzoate

methyl 3-formamido-4-propoxybenzoate (PubChem CID 135191960) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is methyl 3-formamido-4-propoxybenzoate.

Molecular Properties

Compound Namemethyl 3-formamido-4-propoxybenzoate
PubChem CID135191960
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Namemethyl 3-formamido-4-propoxybenzoate
SMILESCCCOc1ccc(C(=O)OC)cc1NC=O
InChIInChI=1S/C12H15NO4/c1-3-6-17-11-5-4-9(12(15)16-2)7-10(11)13-8-14/h4-5,7-8H,3,6H2,1-2H3,(H,13,14)
InChIKeyYJJYIAGBOUGGAJ-UHFFFAOYSA-N
XLogP1.83
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-acetyl-4-propoxybenzoate
CID 18404776
methyl 3-amino-4-propoxybenzoate
CID 43380309
methyl 4-bromo-3-formamidobenzoate
CID 122687075
methyl 4-formamido-3-hydroxybenzoate
CID 91622889
methyl 4-[(2-aminoacetyl)amino]-3-propoxybenzoate
CID 82350124
methyl 3,4,5-tripropoxybenzoate
CID 19820325
methyl 3-methoxy-4-[2-oxo-2-(2-propoxyanilino)ethoxy]benzoate
CID 24571020
3-(methanesulfonamido)-4-propoxybenzoic acid
CID 110504278
methyl 3-methoxy-4-[3-(2-methoxy-4-methoxycarbonylphenoxy)propoxy]benzoate
CID 15167932
2,3-dihydroxypropyl 3-(2,2-dicyanoethenylamino)-4-propoxybenzoate
CID 168544992
methyl 4-methoxy-3-(2-methoxyethoxy)benzoate
CID 66876699
methyl 3-tert-butyl-4-formamidobenzoate
CID 168652003

Frequently Asked Questions

What is the IUPAC name of methyl 3-formamido-4-propoxybenzoate?
The IUPAC name of methyl 3-formamido-4-propoxybenzoate (CID 135191960) is methyl 3-formamido-4-propoxybenzoate.
What is the SMILES notation for methyl 3-formamido-4-propoxybenzoate?
The canonical SMILES for methyl 3-formamido-4-propoxybenzoate is CCCOc1ccc(C(=O)OC)cc1NC=O.
What is the InChIKey of methyl 3-formamido-4-propoxybenzoate?
The InChIKey is YJJYIAGBOUGGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-3-6-17-11-5-4-9(12(15)16-2)7-10(11)13-8-14/h4-5,7-8H,3,6H2,1-2H3,(H,13,14).
What are the key properties of methyl 3-formamido-4-propoxybenzoate?
methyl 3-formamido-4-propoxybenzoate has a molecular weight of 237.25 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-formamido-4-propoxybenzoate is sourced from PubChem (CID 135191960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).