N-[2-methyl-3-[[2-oxo-2-(4-phenoxyanilino)ethyl]amino]phenyl]cyclopropanecarboxamide

C25H25N3O3 — CID 54844689

IUPACN-[2-methyl-3-[[2-oxo-2-(4-phenoxyanilino)ethyl]amino]phenyl]cyclopropanecarboxamide
SMILESCc1c(NCC(=O)Nc2ccc(Oc3ccccc3)cc2)cccc1NC(=O)C1CC1
InChIInChI=1S/C25H25N3O3/c1-17-22(8-5-9-23(17)28-25(30)18-10-11-18)26-16-24(29)27-19-12-14-21(15-13-19)31-20-6-3-2-4-7-20/h2-9,12-15,18,26H,10-11,16H2,1H3,(H,27,29)(H,28,30)
InChIKeyNVUJHVGOMVMWDN-UHFFFAOYSA-N
MW415.49 g/mol
LogP5.19
Rot. Bonds8

About N-[2-methyl-3-[[2-oxo-2-(4-phenoxyanilino)ethyl]amino]phenyl]cyclopropanecarboxamide

N-[2-methyl-3-[[2-oxo-2-(4-phenoxyanilino)ethyl]amino]phenyl]cyclopropanecarboxamide (PubChem CID 54844689) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is N-[2-methyl-3-[[2-oxo-2-(4-phenoxyanilino)ethyl]amino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-methyl-3-[[2-oxo-2-(4-phenoxyanilino)ethyl]amino]phenyl]cyclopropanecarboxamide
PubChem CID54844689
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC NameN-[2-methyl-3-[[2-oxo-2-(4-phenoxyanilino)ethyl]amino]phenyl]cyclopropanecarboxamide
SMILESCc1c(NCC(=O)Nc2ccc(Oc3ccccc3)cc2)cccc1NC(=O)C1CC1
InChIInChI=1S/C25H25N3O3/c1-17-22(8-5-9-23(17)28-25(30)18-10-11-18)26-16-24(29)27-19-12-14-21(15-13-19)31-20-6-3-2-4-7-20/h2-9,12-15,18,26H,10-11,16H2,1H3,(H,27,29)(H,28,30)
InChIKeyNVUJHVGOMVMWDN-UHFFFAOYSA-N
XLogP5.19
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.49
LogP ≤ 55.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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-[3-[[2-(4-iodoanilino)-2-oxoethyl]amino]-2-methylphenyl]cyclopropanecarboxamide
CID 54844717
N-[2-methyl-3-[[2-[4-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]phenyl]cyclopropanecarboxamide
CID 54845439
N-[3-[[2-[3-(cyclopropanecarbonylamino)-2-methylanilino]acetyl]amino]phenyl]benzamide
CID 54845223
2-(2-chloroanilino)-N-(4-phenoxyphenyl)acetamide
CID 54810461
N-[2-methyl-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]cyclopropanecarboxamide
CID 54845201
N-[2-methyl-3-[[2-oxo-2-(2-phenylethylamino)ethyl]amino]phenyl]cyclopropanecarboxamide
CID 54844978
N-[3-[[2-(2,5-dimethoxyanilino)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide
CID 54814225
N-[3-[[2-(2,3-dichloroanilino)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide
CID 54815961
N-[2-methyl-3-[[2-oxo-2-(2,4,5-trichloroanilino)ethyl]amino]phenyl]cyclopropanecarboxamide
CID 54844663
3-[[2-[3-(cyclopropanecarbonylamino)-2-methylanilino]acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 54845419

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-[[2-oxo-2-(4-phenoxyanilino)ethyl]amino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-methyl-3-[[2-oxo-2-(4-phenoxyanilino)ethyl]amino]phenyl]cyclopropanecarboxamide (CID 54844689) is N-[2-methyl-3-[[2-oxo-2-(4-phenoxyanilino)ethyl]amino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-methyl-3-[[2-oxo-2-(4-phenoxyanilino)ethyl]amino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-methyl-3-[[2-oxo-2-(4-phenoxyanilino)ethyl]amino]phenyl]cyclopropanecarboxamide is Cc1c(NCC(=O)Nc2ccc(Oc3ccccc3)cc2)cccc1NC(=O)C1CC1.
What is the InChIKey of N-[2-methyl-3-[[2-oxo-2-(4-phenoxyanilino)ethyl]amino]phenyl]cyclopropanecarboxamide?
The InChIKey is NVUJHVGOMVMWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-17-22(8-5-9-23(17)28-25(30)18-10-11-18)26-16-24(29)27-19-12-14-21(15-13-19)31-20-6-3-2-4-7-20/h2-9,12-15,18,26H,10-11,16H2,1H3,(H,27,29)(H,28,30).
What are the key properties of N-[2-methyl-3-[[2-oxo-2-(4-phenoxyanilino)ethyl]amino]phenyl]cyclopropanecarboxamide?
N-[2-methyl-3-[[2-oxo-2-(4-phenoxyanilino)ethyl]amino]phenyl]cyclopropanecarboxamide has a molecular weight of 415.49 g/mol, XLogP of 5.19, 8 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-oxo-2-(4-phenoxyanilino)ethyl]amino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 54844689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).