N-[3-[2-(2-hydroxy-5-methylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide

C19H20N2O4 — CID 60562038

IUPACN-[3-[2-(2-hydroxy-5-methylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
SMILESCc1ccc(O)c(NC(=O)COc2cccc(NC(=O)C3CC3)c2)c1
InChIInChI=1S/C19H20N2O4/c1-12-5-8-17(22)16(9-12)21-18(23)11-25-15-4-2-3-14(10-15)20-19(24)13-6-7-13/h2-5,8-10,13,22H,6-7,11H2,1H3,(H,20,24)(H,21,23)
InChIKeyIBUCPVHPMZXXIF-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.07
Rot. Bonds6

About N-[3-[2-(2-hydroxy-5-methylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide

N-[3-[2-(2-hydroxy-5-methylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide (PubChem CID 60562038) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-[3-[2-(2-hydroxy-5-methylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[2-(2-hydroxy-5-methylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
PubChem CID60562038
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC NameN-[3-[2-(2-hydroxy-5-methylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
SMILESCc1ccc(O)c(NC(=O)COc2cccc(NC(=O)C3CC3)c2)c1
InChIInChI=1S/C19H20N2O4/c1-12-5-8-17(22)16(9-12)21-18(23)11-25-15-4-2-3-14(10-15)20-19(24)13-6-7-13/h2-5,8-10,13,22H,6-7,11H2,1H3,(H,20,24)(H,21,23)
InChIKeyIBUCPVHPMZXXIF-UHFFFAOYSA-N
XLogP3.07
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-[2-(2-hydroxy-5-methylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]phenyl]acetic acid
CID 119218358
N-[3-[2-(2-methyl-5-methylsulfonylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 46480929
N-[3-[2-[4-(methylcarbamoylamino)anilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 46545768
methyl 2-[3-(cyclopropanecarbonylamino)phenoxy]acetate
CID 47170141
N-[3-[2-[2-(2-methoxy-5-methylphenyl)ethylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55615703
N-[3-[2-(N,4-dimethylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 51132954
N-[3-[2-(3,5-difluoro-4-methoxyanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 87031657
2-(4-fluorophenoxy)-N-(2-hydroxy-5-methylphenyl)acetamide
CID 894086
N-[3-[2-oxo-2-[2-(pyrrolidin-1-ylmethyl)anilino]ethoxy]phenyl]cyclopropanecarboxamide
CID 55677177
N-(2-hydroxy-5-methylphenyl)-2-pyridin-3-yloxyacetamide
CID 110487929
N-[3-[2-[[6-(dimethylamino)-3-pyridinyl]amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 39505500
1-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]cyclopropane-1-carboxylic acid
CID 75445818

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2-hydroxy-5-methylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[2-(2-hydroxy-5-methylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide (CID 60562038) is N-[3-[2-(2-hydroxy-5-methylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[2-(2-hydroxy-5-methylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[2-(2-hydroxy-5-methylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide is Cc1ccc(O)c(NC(=O)COc2cccc(NC(=O)C3CC3)c2)c1.
What is the InChIKey of N-[3-[2-(2-hydroxy-5-methylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide?
The InChIKey is IBUCPVHPMZXXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-12-5-8-17(22)16(9-12)21-18(23)11-25-15-4-2-3-14(10-15)20-19(24)13-6-7-13/h2-5,8-10,13,22H,6-7,11H2,1H3,(H,20,24)(H,21,23).
What are the key properties of N-[3-[2-(2-hydroxy-5-methylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide?
N-[3-[2-(2-hydroxy-5-methylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide has a molecular weight of 340.38 g/mol, XLogP of 3.07, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2-hydroxy-5-methylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 60562038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).