N-[3-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]-2-methylphenyl]cyclopropanecarboxamide

C22H27N3O4 — CID 54845319

IUPACN-[3-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]-2-methylphenyl]cyclopropanecarboxamide
SMILESCOCCOc1ccc(NC(=O)CNc2cccc(NC(=O)C3CC3)c2C)cc1
InChIInChI=1S/C22H27N3O4/c1-15-19(4-3-5-20(15)25-22(27)16-6-7-16)23-14-21(26)24-17-8-10-18(11-9-17)29-13-12-28-2/h3-5,8-11,16,23H,6-7,12-14H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyALYOLRZOFOMRQH-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.42
Rot. Bonds10

About N-[3-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]-2-methylphenyl]cyclopropanecarboxamide

N-[3-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]-2-methylphenyl]cyclopropanecarboxamide (PubChem CID 54845319) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[3-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]-2-methylphenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]-2-methylphenyl]cyclopropanecarboxamide
PubChem CID54845319
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC NameN-[3-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]-2-methylphenyl]cyclopropanecarboxamide
SMILESCOCCOc1ccc(NC(=O)CNc2cccc(NC(=O)C3CC3)c2C)cc1
InChIInChI=1S/C22H27N3O4/c1-15-19(4-3-5-20(15)25-22(27)16-6-7-16)23-14-21(26)24-17-8-10-18(11-9-17)29-13-12-28-2/h3-5,8-11,16,23H,6-7,12-14H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyALYOLRZOFOMRQH-UHFFFAOYSA-N
XLogP3.42
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-methyl-3-[[2-[4-(2-methylpropoxy)anilino]-2-oxoethyl]amino]phenyl]cyclopropanecarboxamide
CID 54845193
N-[2-methyl-3-[[2-[4-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]phenyl]cyclopropanecarboxamide
CID 54845439
N-[2-methyl-3-[[2-oxo-2-(4-phenoxyanilino)ethyl]amino]phenyl]cyclopropanecarboxamide
CID 54844689
N-[3-[[2-(4-iodoanilino)-2-oxoethyl]amino]-2-methylphenyl]cyclopropanecarboxamide
CID 54844717
3-[[2-[3-(cyclopropanecarbonylamino)-2-methylanilino]acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 54845419
2-(2-methoxyanilino)-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 54817190
4-[[2-[3-(cyclopropanecarbonylamino)-2-methylanilino]-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54836486
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
N-[2-methyl-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]cyclopropanecarboxamide
CID 54845201
N-[4-(2-methoxyethoxy)phenyl]-2-(3-methylanilino)acetamide
CID 54810605
N-[3-[[2-(2,3-dichloroanilino)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide
CID 54815961

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]-2-methylphenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]-2-methylphenyl]cyclopropanecarboxamide (CID 54845319) is N-[3-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]-2-methylphenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]-2-methylphenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]-2-methylphenyl]cyclopropanecarboxamide is COCCOc1ccc(NC(=O)CNc2cccc(NC(=O)C3CC3)c2C)cc1.
What is the InChIKey of N-[3-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]-2-methylphenyl]cyclopropanecarboxamide?
The InChIKey is ALYOLRZOFOMRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-15-19(4-3-5-20(15)25-22(27)16-6-7-16)23-14-21(26)24-17-8-10-18(11-9-17)29-13-12-28-2/h3-5,8-11,16,23H,6-7,12-14H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N-[3-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]-2-methylphenyl]cyclopropanecarboxamide?
N-[3-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]-2-methylphenyl]cyclopropanecarboxamide has a molecular weight of 397.48 g/mol, XLogP of 3.42, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]-2-methylphenyl]cyclopropanecarboxamide is sourced from PubChem (CID 54845319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).