N-[4-[1-[[2-(2-cyanophenoxy)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide

C21H21N3O3 — CID 134021122

IUPACN-[4-[1-[[2-(2-cyanophenoxy)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide
SMILESCC(NC(=O)COc1ccccc1C#N)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C21H21N3O3/c1-14(15-8-10-18(11-9-15)24-21(26)16-6-7-16)23-20(25)13-27-19-5-3-2-4-17(19)12-22/h2-5,8-11,14,16H,6-7,13H2,1H3,(H,23,25)(H,24,26)
InChIKeyDKMQCEXOQIHHIL-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.16
Rot. Bonds7

About N-[4-[1-[[2-(2-cyanophenoxy)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide

N-[4-[1-[[2-(2-cyanophenoxy)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide (PubChem CID 134021122) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[4-[1-[[2-(2-cyanophenoxy)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[1-[[2-(2-cyanophenoxy)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide
PubChem CID134021122
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN-[4-[1-[[2-(2-cyanophenoxy)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide
SMILESCC(NC(=O)COc1ccccc1C#N)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C21H21N3O3/c1-14(15-8-10-18(11-9-15)24-21(26)16-6-7-16)23-20(25)13-27-19-5-3-2-4-17(19)12-22/h2-5,8-11,14,16H,6-7,13H2,1H3,(H,23,25)(H,24,26)
InChIKeyDKMQCEXOQIHHIL-UHFFFAOYSA-N
XLogP3.16
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[1-[[2-(2-methylphenoxy)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 46595082
N-[4-[1-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 134021116
N-[4-[1-[[2-(2-fluorophenoxy)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 134021118
2-(2-cyanophenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 2562613
N-[4-[1-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 55618064
[2-oxo-2-(1-phenylethylamino)ethyl] 4-(cyclopropanecarbonylamino)benzoate
CID 18085650
N-[4-[1-[3-(2-methoxyphenoxy)propanoylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 134021124
2-(2-cyanophenoxy)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]acetamide
CID 8500487
2-(2-cyanophenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 2706739
1-[2-(2-cyanophenoxy)acetyl]-N-(4-hydroxyphenyl)piperidine-4-carboxamide
CID 71864234
N-[4-[1-[[2-(4-cyanophenyl)sulfanylacetyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 60518059
2-(2-cyanophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 7742348

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[[2-(2-cyanophenoxy)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[1-[[2-(2-cyanophenoxy)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide (CID 134021122) is N-[4-[1-[[2-(2-cyanophenoxy)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[1-[[2-(2-cyanophenoxy)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[1-[[2-(2-cyanophenoxy)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide is CC(NC(=O)COc1ccccc1C#N)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[4-[1-[[2-(2-cyanophenoxy)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide?
The InChIKey is DKMQCEXOQIHHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-14(15-8-10-18(11-9-15)24-21(26)16-6-7-16)23-20(25)13-27-19-5-3-2-4-17(19)12-22/h2-5,8-11,14,16H,6-7,13H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-[4-[1-[[2-(2-cyanophenoxy)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide?
N-[4-[1-[[2-(2-cyanophenoxy)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide has a molecular weight of 363.42 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[[2-(2-cyanophenoxy)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 134021122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).