2-(2-cyanophenyl)-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]benzamide

C27H25N3O3 — CID 55893951

IUPAC2-(2-cyanophenyl)-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]benzamide
SMILESN#Cc1ccccc1-c1ccccc1C(=O)NCCc1ccc(OCC(=O)NC2CC2)cc1
InChIInChI=1S/C27H25N3O3/c28-17-20-5-1-2-6-23(20)24-7-3-4-8-25(24)27(32)29-16-15-19-9-13-22(14-10-19)33-18-26(31)30-21-11-12-21/h1-10,13-14,21H,11-12,15-16,18H2,(H,29,32)(H,30,31)
InChIKeyJEPLOEPKQJRYAM-UHFFFAOYSA-N
MW439.52 g/mol
LogP3.86
Rot. Bonds9

About 2-(2-cyanophenyl)-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]benzamide

2-(2-cyanophenyl)-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]benzamide (PubChem CID 55893951) has the molecular formula C27H25N3O3 and a molecular weight of 439.52 g/mol. Its IUPAC name is 2-(2-cyanophenyl)-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]benzamide.

Molecular Properties

Compound Name2-(2-cyanophenyl)-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]benzamide
PubChem CID55893951
Molecular FormulaC27H25N3O3
Molecular Weight439.52 g/mol
Exact Mass439.19
IUPAC Name2-(2-cyanophenyl)-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]benzamide
SMILESN#Cc1ccccc1-c1ccccc1C(=O)NCCc1ccc(OCC(=O)NC2CC2)cc1
InChIInChI=1S/C27H25N3O3/c28-17-20-5-1-2-6-23(20)24-7-3-4-8-25(24)27(32)29-16-15-19-9-13-22(14-10-19)33-18-26(31)30-21-11-12-21/h1-10,13-14,21H,11-12,15-16,18H2,(H,29,32)(H,30,31)
InChIKeyJEPLOEPKQJRYAM-UHFFFAOYSA-N
XLogP3.86
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-1-benzothiophene-3-carboxamide
CID 60537436
N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-(difluoromethoxy)benzamide
CID 55893056
N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-2-phenylquinoline-4-carboxamide
CID 52703335
N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-2-(methylamino)acetamide
CID 119741723
2-chloro-N-[1-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55894078
1-amino-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119741706
(2R)-2-amino-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]propanamide
CID 119299388
N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-4-(trifluoromethylsulfanyl)benzamide
CID 55893443
N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 47063757
2-(2-cyanophenyl)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]benzamide
CID 112804628
N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide
CID 60535467
N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-(phenylcarbamoylamino)propanamide
CID 55893945

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenyl)-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]benzamide?
The IUPAC name of 2-(2-cyanophenyl)-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]benzamide (CID 55893951) is 2-(2-cyanophenyl)-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]benzamide.
What is the SMILES notation for 2-(2-cyanophenyl)-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]benzamide?
The canonical SMILES for 2-(2-cyanophenyl)-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]benzamide is N#Cc1ccccc1-c1ccccc1C(=O)NCCc1ccc(OCC(=O)NC2CC2)cc1.
What is the InChIKey of 2-(2-cyanophenyl)-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]benzamide?
The InChIKey is JEPLOEPKQJRYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O3/c28-17-20-5-1-2-6-23(20)24-7-3-4-8-25(24)27(32)29-16-15-19-9-13-22(14-10-19)33-18-26(31)30-21-11-12-21/h1-10,13-14,21H,11-12,15-16,18H2,(H,29,32)(H,30,31).
What are the key properties of 2-(2-cyanophenyl)-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]benzamide?
2-(2-cyanophenyl)-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]benzamide has a molecular weight of 439.52 g/mol, XLogP of 3.86, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenyl)-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]benzamide is sourced from PubChem (CID 55893951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).