N-(3,4-dicyanophenyl)-2-(1-methoxycyclobutyl)acetamide

C15H15N3O2 — CID 103522079

IUPACN-(3,4-dicyanophenyl)-2-(1-methoxycyclobutyl)acetamide
SMILESCOC1(CC(=O)Nc2ccc(C#N)c(C#N)c2)CCC1
InChIInChI=1S/C15H15N3O2/c1-20-15(5-2-6-15)8-14(19)18-13-4-3-11(9-16)12(7-13)10-17/h3-4,7H,2,5-6,8H2,1H3,(H,18,19)
InChIKeyYRQZVXPZASYGDP-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.33
Rot. Bonds4

About N-(3,4-dicyanophenyl)-2-(1-methoxycyclobutyl)acetamide

N-(3,4-dicyanophenyl)-2-(1-methoxycyclobutyl)acetamide (PubChem CID 103522079) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-(3,4-dicyanophenyl)-2-(1-methoxycyclobutyl)acetamide.

Molecular Properties

Compound NameN-(3,4-dicyanophenyl)-2-(1-methoxycyclobutyl)acetamide
PubChem CID103522079
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC NameN-(3,4-dicyanophenyl)-2-(1-methoxycyclobutyl)acetamide
SMILESCOC1(CC(=O)Nc2ccc(C#N)c(C#N)c2)CCC1
InChIInChI=1S/C15H15N3O2/c1-20-15(5-2-6-15)8-14(19)18-13-4-3-11(9-16)12(7-13)10-17/h3-4,7H,2,5-6,8H2,1H3,(H,18,19)
InChIKeyYRQZVXPZASYGDP-UHFFFAOYSA-N
XLogP2.33
TPSA85.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluoro-4-hydroxyphenyl)-2-(1-methoxycyclobutyl)acetamide
CID 103557015
2-methoxy-4-[[2-(1-methoxycyclobutyl)acetyl]amino]benzoic acid
CID 107208665
N-[4-(3-hydroxyprop-1-ynyl)phenyl]-2-(1-methoxycyclobutyl)acetamide
CID 103557419
N-(3,4-dicyanophenyl)acetamide
CID 12938829
2-(1-methoxycyclobutyl)-N-[3-(sulfamoylamino)phenyl]acetamide
CID 103520061
N-(3,4-dicyanophenyl)pentanamide
CID 113240271
3-amino-N-(3,4-dicyanophenyl)-3-methylbutanamide
CID 107790582
3-[[2-(1-methoxycyclobutyl)acetyl]amino]-4-methylbenzoic acid
CID 103555485
4-[[2-(1-methoxycyclobutyl)acetyl]amino]-3-methylbenzoic acid
CID 103555498
N-[(3-cyanophenyl)methyl]-2-(1-methoxycyclobutyl)acetamide
CID 103520088
N-(3-cyano-4-methoxyphenyl)-1-propoxycyclohexane-1-carboxamide
CID 100767233
[2-cyano-4-[(1-methoxycyclohexanecarbonyl)amino]phenyl] acetate
CID 100756395

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dicyanophenyl)-2-(1-methoxycyclobutyl)acetamide?
The IUPAC name of N-(3,4-dicyanophenyl)-2-(1-methoxycyclobutyl)acetamide (CID 103522079) is N-(3,4-dicyanophenyl)-2-(1-methoxycyclobutyl)acetamide.
What is the SMILES notation for N-(3,4-dicyanophenyl)-2-(1-methoxycyclobutyl)acetamide?
The canonical SMILES for N-(3,4-dicyanophenyl)-2-(1-methoxycyclobutyl)acetamide is COC1(CC(=O)Nc2ccc(C#N)c(C#N)c2)CCC1.
What is the InChIKey of N-(3,4-dicyanophenyl)-2-(1-methoxycyclobutyl)acetamide?
The InChIKey is YRQZVXPZASYGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-20-15(5-2-6-15)8-14(19)18-13-4-3-11(9-16)12(7-13)10-17/h3-4,7H,2,5-6,8H2,1H3,(H,18,19).
What are the key properties of N-(3,4-dicyanophenyl)-2-(1-methoxycyclobutyl)acetamide?
N-(3,4-dicyanophenyl)-2-(1-methoxycyclobutyl)acetamide has a molecular weight of 269.30 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dicyanophenyl)-2-(1-methoxycyclobutyl)acetamide is sourced from PubChem (CID 103522079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).