N-[4-[2-(4-butan-2-ylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide

C22H26N2O3 — CID 78904121

IUPACN-[4-[2-(4-butan-2-ylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
SMILESCCC(C)c1ccc(NC(=O)COc2ccc(NC(=O)C3CC3)cc2)cc1
InChIInChI=1S/C22H26N2O3/c1-3-15(2)16-6-8-18(9-7-16)23-21(25)14-27-20-12-10-19(11-13-20)24-22(26)17-4-5-17/h6-13,15,17H,3-5,14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyBOMBQXPQRDLGSB-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.57
Rot. Bonds8

About N-[4-[2-(4-butan-2-ylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide

N-[4-[2-(4-butan-2-ylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide (PubChem CID 78904121) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[4-[2-(4-butan-2-ylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[2-(4-butan-2-ylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
PubChem CID78904121
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-[4-[2-(4-butan-2-ylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
SMILESCCC(C)c1ccc(NC(=O)COc2ccc(NC(=O)C3CC3)cc2)cc1
InChIInChI=1S/C22H26N2O3/c1-3-15(2)16-6-8-18(9-7-16)23-21(25)14-27-20-12-10-19(11-13-20)24-22(26)17-4-5-17/h6-13,15,17H,3-5,14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyBOMBQXPQRDLGSB-UHFFFAOYSA-N
XLogP4.57
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(2R)-butan-2-yl]phenoxy]-N-(4-iodophenyl)acetamide
CID 1336727
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 918574
2-[4-[(2R)-butan-2-yl]phenoxy]-N-(4-butoxyphenyl)acetamide
CID 9319776
N-(4-bromophenyl)-2-(4-butan-2-ylphenoxy)acetamide
CID 3431562
methyl 4-[[2-(4-butan-2-ylphenoxy)acetyl]amino]benzoate
CID 4959303
2-[4-[(2R)-butan-2-yl]phenoxy]-N-[4-(dimethylamino)phenyl]acetamide
CID 918515
2-(4-butan-2-ylphenoxy)-N-(4-heptoxyphenyl)acetamide
CID 4959333
N'-[2-(4-butan-2-ylphenoxy)acetyl]cyclohexanecarbohydrazide
CID 2965045
N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7671033
2-(4-butan-2-ylphenoxy)-N-(9,10-dioxoanthracen-2-yl)acetamide
CID 22776102
2-(4-butan-2-ylphenoxy)-N-(3-chloro-4-pyrrolidin-1-ylphenyl)acetamide
CID 19629925
dimethyl 5-[[2-[4-[(2R)-butan-2-yl]phenoxy]acetyl]amino]benzene-1,3-dicarboxylate
CID 1017628

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-butan-2-ylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[2-(4-butan-2-ylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide (CID 78904121) is N-[4-[2-(4-butan-2-ylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[2-(4-butan-2-ylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[2-(4-butan-2-ylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide is CCC(C)c1ccc(NC(=O)COc2ccc(NC(=O)C3CC3)cc2)cc1.
What is the InChIKey of N-[4-[2-(4-butan-2-ylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide?
The InChIKey is BOMBQXPQRDLGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-3-15(2)16-6-8-18(9-7-16)23-21(25)14-27-20-12-10-19(11-13-20)24-22(26)17-4-5-17/h6-13,15,17H,3-5,14H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-[4-[2-(4-butan-2-ylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide?
N-[4-[2-(4-butan-2-ylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide has a molecular weight of 366.46 g/mol, XLogP of 4.57, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-butan-2-ylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 78904121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).