N-[2-methyl-3-[[2-[4-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]phenyl]cyclopropanecarboxamide

C23H27N3O3 — CID 54845439

IUPACN-[2-methyl-3-[[2-[4-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]phenyl]cyclopropanecarboxamide
SMILESC=C(C)COc1ccc(NC(=O)CNc2cccc(NC(=O)C3CC3)c2C)cc1
InChIInChI=1S/C23H27N3O3/c1-15(2)14-29-19-11-9-18(10-12-19)25-22(27)13-24-20-5-4-6-21(16(20)3)26-23(28)17-7-8-17/h4-6,9-12,17,24H,1,7-8,13-14H2,2-3H3,(H,25,27)(H,26,28)
InChIKeyPMEJUGJKIWOQOS-UHFFFAOYSA-N
MW393.49 g/mol
LogP4.35
Rot. Bonds9

About N-[2-methyl-3-[[2-[4-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]phenyl]cyclopropanecarboxamide

N-[2-methyl-3-[[2-[4-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]phenyl]cyclopropanecarboxamide (PubChem CID 54845439) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[2-methyl-3-[[2-[4-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-methyl-3-[[2-[4-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]phenyl]cyclopropanecarboxamide
PubChem CID54845439
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC NameN-[2-methyl-3-[[2-[4-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]phenyl]cyclopropanecarboxamide
SMILESC=C(C)COc1ccc(NC(=O)CNc2cccc(NC(=O)C3CC3)c2C)cc1
InChIInChI=1S/C23H27N3O3/c1-15(2)14-29-19-11-9-18(10-12-19)25-22(27)13-24-20-5-4-6-21(16(20)3)26-23(28)17-7-8-17/h4-6,9-12,17,24H,1,7-8,13-14H2,2-3H3,(H,25,27)(H,26,28)
InChIKeyPMEJUGJKIWOQOS-UHFFFAOYSA-N
XLogP4.35
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.35
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

N-[3-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]-2-methylphenyl]cyclopropanecarboxamide
CID 54845319
N-[2-methyl-3-[[2-[4-(2-methylpropoxy)anilino]-2-oxoethyl]amino]phenyl]cyclopropanecarboxamide
CID 54845193
N-[2-methyl-3-[[2-oxo-2-(4-phenoxyanilino)ethyl]amino]phenyl]cyclopropanecarboxamide
CID 54844689
N-[4-(2-methylprop-2-enoxy)phenyl]cyclopropanecarboxamide
CID 17097627
N-[3-[[2-(4-iodoanilino)-2-oxoethyl]amino]-2-methylphenyl]cyclopropanecarboxamide
CID 54844717
2-(2-ethoxyanilino)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54817171
N-[2-methyl-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]cyclopropanecarboxamide
CID 54845201
2-[2-(2-methylprop-2-enoxy)anilino]-N-(4-prop-2-enoxyphenyl)acetamide
CID 54825856
2-[4-(2-methylprop-2-enoxy)anilino]-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54824411
N-[3-[[2-[3-(cyclopropanecarbonylamino)-2-methylanilino]acetyl]amino]phenyl]benzamide
CID 54845223
N-[3-[[2-(2,5-dimethoxyanilino)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide
CID 54814225
2-(2,5-dimethoxyanilino)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54814050

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-[[2-[4-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-methyl-3-[[2-[4-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]phenyl]cyclopropanecarboxamide (CID 54845439) is N-[2-methyl-3-[[2-[4-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-methyl-3-[[2-[4-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-methyl-3-[[2-[4-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]phenyl]cyclopropanecarboxamide is C=C(C)COc1ccc(NC(=O)CNc2cccc(NC(=O)C3CC3)c2C)cc1.
What is the InChIKey of N-[2-methyl-3-[[2-[4-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]phenyl]cyclopropanecarboxamide?
The InChIKey is PMEJUGJKIWOQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-15(2)14-29-19-11-9-18(10-12-19)25-22(27)13-24-20-5-4-6-21(16(20)3)26-23(28)17-7-8-17/h4-6,9-12,17,24H,1,7-8,13-14H2,2-3H3,(H,25,27)(H,26,28).
What are the key properties of N-[2-methyl-3-[[2-[4-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]phenyl]cyclopropanecarboxamide?
N-[2-methyl-3-[[2-[4-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]phenyl]cyclopropanecarboxamide has a molecular weight of 393.49 g/mol, XLogP of 4.35, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-[[2-[4-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 54845439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).