3-[(4-cyanophenoxy)methyl]-N-[(1-hydroxycyclobutyl)methyl]benzamide

C20H20N2O3 — CID 111539373

IUPAC3-[(4-cyanophenoxy)methyl]-N-[(1-hydroxycyclobutyl)methyl]benzamide
SMILESN#Cc1ccc(OCc2cccc(C(=O)NCC3(O)CCC3)c2)cc1
InChIInChI=1S/C20H20N2O3/c21-12-15-5-7-18(8-6-15)25-13-16-3-1-4-17(11-16)19(23)22-14-20(24)9-2-10-20/h1,3-8,11,24H,2,9-10,13-14H2,(H,22,23)
InChIKeyZFIAMIYGQVLXQL-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.78
Rot. Bonds6

About 3-[(4-cyanophenoxy)methyl]-N-[(1-hydroxycyclobutyl)methyl]benzamide

3-[(4-cyanophenoxy)methyl]-N-[(1-hydroxycyclobutyl)methyl]benzamide (PubChem CID 111539373) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 3-[(4-cyanophenoxy)methyl]-N-[(1-hydroxycyclobutyl)methyl]benzamide.

Molecular Properties

Compound Name3-[(4-cyanophenoxy)methyl]-N-[(1-hydroxycyclobutyl)methyl]benzamide
PubChem CID111539373
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name3-[(4-cyanophenoxy)methyl]-N-[(1-hydroxycyclobutyl)methyl]benzamide
SMILESN#Cc1ccc(OCc2cccc(C(=O)NCC3(O)CCC3)c2)cc1
InChIInChI=1S/C20H20N2O3/c21-12-15-5-7-18(8-6-15)25-13-16-3-1-4-17(11-16)19(23)22-14-20(24)9-2-10-20/h1,3-8,11,24H,2,9-10,13-14H2,(H,22,23)
InChIKeyZFIAMIYGQVLXQL-UHFFFAOYSA-N
XLogP2.78
TPSA82.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-cyanophenoxy)methyl]-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 86954115
N-benzyl-3-[(4-cyanophenyl)methoxy]benzamide
CID 7492266
3-ethoxy-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 111446107
3-[(4-cyanophenoxy)methyl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzamide
CID 86953978
1-[(1-hydroxycyclobutyl)methyl]-3-[(4-phenylmethoxyphenyl)methyl]urea
CID 111438140
4-[(3-acetylphenyl)methoxy]benzonitrile;diiodovanadium
CID 159145288
3-[[3-[[(1-hydroxycycloheptyl)methylamino]methyl]phenoxy]methyl]benzonitrile
CID 166209562
3-[(4-cyanophenoxy)methyl]-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]benzamide
CID 86954166
3-[(4-cyanophenyl)methoxy]benzamide
CID 18354600
N-[(1-hydroxycyclobutyl)methyl]naphthalene-2-carboxamide
CID 111445480
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-(methoxymethyl)benzamide
CID 65124255
1-[[3-[(4-cyanophenoxy)methyl]benzoyl]amino]-3-(3-ethoxypropyl)thiourea
CID 19581728

Frequently Asked Questions

What is the IUPAC name of 3-[(4-cyanophenoxy)methyl]-N-[(1-hydroxycyclobutyl)methyl]benzamide?
The IUPAC name of 3-[(4-cyanophenoxy)methyl]-N-[(1-hydroxycyclobutyl)methyl]benzamide (CID 111539373) is 3-[(4-cyanophenoxy)methyl]-N-[(1-hydroxycyclobutyl)methyl]benzamide.
What is the SMILES notation for 3-[(4-cyanophenoxy)methyl]-N-[(1-hydroxycyclobutyl)methyl]benzamide?
The canonical SMILES for 3-[(4-cyanophenoxy)methyl]-N-[(1-hydroxycyclobutyl)methyl]benzamide is N#Cc1ccc(OCc2cccc(C(=O)NCC3(O)CCC3)c2)cc1.
What is the InChIKey of 3-[(4-cyanophenoxy)methyl]-N-[(1-hydroxycyclobutyl)methyl]benzamide?
The InChIKey is ZFIAMIYGQVLXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c21-12-15-5-7-18(8-6-15)25-13-16-3-1-4-17(11-16)19(23)22-14-20(24)9-2-10-20/h1,3-8,11,24H,2,9-10,13-14H2,(H,22,23).
What are the key properties of 3-[(4-cyanophenoxy)methyl]-N-[(1-hydroxycyclobutyl)methyl]benzamide?
3-[(4-cyanophenoxy)methyl]-N-[(1-hydroxycyclobutyl)methyl]benzamide has a molecular weight of 336.39 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-cyanophenoxy)methyl]-N-[(1-hydroxycyclobutyl)methyl]benzamide is sourced from PubChem (CID 111539373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).