2-[[2-[3-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]benzamide

C19H21N3O3 — CID 54811890

IUPAC2-[[2-[3-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]benzamide
SMILESC=C(C)COc1cccc(NC(=O)CNc2ccccc2C(N)=O)c1
InChIInChI=1S/C19H21N3O3/c1-13(2)12-25-15-7-5-6-14(10-15)22-18(23)11-21-17-9-4-3-8-16(17)19(20)24/h3-10,21H,1,11-12H2,2H3,(H2,20,24)(H,22,23)
InChIKeyULWVMVZTJSYHPO-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.79
Rot. Bonds8

About 2-[[2-[3-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]benzamide

2-[[2-[3-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]benzamide (PubChem CID 54811890) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-[[2-[3-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound Name2-[[2-[3-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]benzamide
PubChem CID54811890
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name2-[[2-[3-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]benzamide
SMILESC=C(C)COc1cccc(NC(=O)CNc2ccccc2C(N)=O)c1
InChIInChI=1S/C19H21N3O3/c1-13(2)12-25-15-7-5-6-14(10-15)22-18(23)11-21-17-9-4-3-8-16(17)19(20)24/h3-10,21H,1,11-12H2,2H3,(H2,20,24)(H,22,23)
InChIKeyULWVMVZTJSYHPO-UHFFFAOYSA-N
XLogP2.79
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-methylprop-2-enoxy)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54826186
2-[4-(2-methylprop-2-enoxy)anilino]-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54824411
N-(2-chlorophenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide
CID 54825963
2-[2-(2-ethoxyethoxy)anilino]-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54827380
2-(3-ethoxyanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54826557
N-(3-methoxyphenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide
CID 54825899
2-(4-chloroanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54810204
N-[3-(2-methylprop-2-enoxy)phenyl]-2-(3-propoxyanilino)acetamide
CID 54824758
2-(3-chloroanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54809113
N-(3-chloro-2-methylphenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide
CID 54825731
N-[3-(2-methylprop-2-enoxy)phenyl]-2-(4-propan-2-yloxyanilino)acetamide
CID 54822286
N-(3-methoxyphenyl)-2-[4-(2-methylprop-2-enoxy)anilino]acetamide
CID 54824578

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[3-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]benzamide?
The IUPAC name of 2-[[2-[3-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]benzamide (CID 54811890) is 2-[[2-[3-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]benzamide.
What is the SMILES notation for 2-[[2-[3-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]benzamide?
The canonical SMILES for 2-[[2-[3-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]benzamide is C=C(C)COc1cccc(NC(=O)CNc2ccccc2C(N)=O)c1.
What is the InChIKey of 2-[[2-[3-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]benzamide?
The InChIKey is ULWVMVZTJSYHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-13(2)12-25-15-7-5-6-14(10-15)22-18(23)11-21-17-9-4-3-8-16(17)19(20)24/h3-10,21H,1,11-12H2,2H3,(H2,20,24)(H,22,23).
What are the key properties of 2-[[2-[3-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]benzamide?
2-[[2-[3-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]benzamide has a molecular weight of 339.40 g/mol, XLogP of 2.79, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[3-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 54811890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).