N-[3-[(3-cyanophenyl)methoxy]phenyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide

C25H22N2O3 — CID 55689140

IUPACN-[3-[(3-cyanophenyl)methoxy]phenyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
SMILESN#Cc1cccc(COc2cccc(NC(=O)COc3ccc4c(c3)CCC4)c2)c1
InChIInChI=1S/C25H22N2O3/c26-15-18-4-1-5-19(12-18)16-29-23-9-3-8-22(14-23)27-25(28)17-30-24-11-10-20-6-2-7-21(20)13-24/h1,3-5,8-14H,2,6-7,16-17H2,(H,27,28)
InChIKeyZUVAIZWIDIKRMG-UHFFFAOYSA-N
MW398.46 g/mol
LogP4.64
Rot. Bonds7

About N-[3-[(3-cyanophenyl)methoxy]phenyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide

N-[3-[(3-cyanophenyl)methoxy]phenyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide (PubChem CID 55689140) has the molecular formula C25H22N2O3 and a molecular weight of 398.46 g/mol. Its IUPAC name is N-[3-[(3-cyanophenyl)methoxy]phenyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide.

Molecular Properties

Compound NameN-[3-[(3-cyanophenyl)methoxy]phenyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
PubChem CID55689140
Molecular FormulaC25H22N2O3
Molecular Weight398.46 g/mol
Exact Mass398.16
IUPAC NameN-[3-[(3-cyanophenyl)methoxy]phenyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
SMILESN#Cc1cccc(COc2cccc(NC(=O)COc3ccc4c(c3)CCC4)c2)c1
InChIInChI=1S/C25H22N2O3/c26-15-18-4-1-5-19(12-18)16-29-23-9-3-8-22(14-23)27-25(28)17-30-24-11-10-20-6-2-7-21(20)13-24/h1,3-5,8-14H,2,6-7,16-17H2,(H,27,28)
InChIKeyZUVAIZWIDIKRMG-UHFFFAOYSA-N
XLogP4.64
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenoxy)-N-[3-[(3-cyanophenyl)methoxy]phenyl]acetamide
CID 39501061
N-(4-cyanophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide
CID 112978228
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(3-fluorophenyl)acetamide
CID 2611402
N-[3-[(3-cyanophenyl)methoxy]phenyl]-1-hydroxycyclopentane-1-carboxamide
CID 110907346
2-(3-acetylphenoxy)-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 2639907
2-(2,3-dihydro-1H-inden-5-yloxy)-N-pyridin-3-ylacetamide
CID 2506082
N-(3-acetylphenyl)-2-[3-[(3-cyanophenyl)methoxy]anilino]acetamide
CID 52703472
N-(3-chlorophenyl)-2-(3-cyanophenoxy)acetamide
CID 8933252
N-(3-cyanophenyl)-2-(3-fluorophenoxy)acetamide
CID 2709220
N-[3-[(3-cyanophenyl)methoxy]phenyl]-3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanamide
CID 46465259
N-[3-[(3-cyanophenyl)methoxy]phenyl]morpholine-4-carboxamide
CID 47042118
2-(2-chloro-6-fluorophenyl)-N-[3-[(3-cyanophenyl)methoxy]phenyl]acetamide
CID 39001170

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-cyanophenyl)methoxy]phenyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide?
The IUPAC name of N-[3-[(3-cyanophenyl)methoxy]phenyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide (CID 55689140) is N-[3-[(3-cyanophenyl)methoxy]phenyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide.
What is the SMILES notation for N-[3-[(3-cyanophenyl)methoxy]phenyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide?
The canonical SMILES for N-[3-[(3-cyanophenyl)methoxy]phenyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide is N#Cc1cccc(COc2cccc(NC(=O)COc3ccc4c(c3)CCC4)c2)c1.
What is the InChIKey of N-[3-[(3-cyanophenyl)methoxy]phenyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide?
The InChIKey is ZUVAIZWIDIKRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O3/c26-15-18-4-1-5-19(12-18)16-29-23-9-3-8-22(14-23)27-25(28)17-30-24-11-10-20-6-2-7-21(20)13-24/h1,3-5,8-14H,2,6-7,16-17H2,(H,27,28).
What are the key properties of N-[3-[(3-cyanophenyl)methoxy]phenyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide?
N-[3-[(3-cyanophenyl)methoxy]phenyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide has a molecular weight of 398.46 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-cyanophenyl)methoxy]phenyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide is sourced from PubChem (CID 55689140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).