N-[(3-cyanophenyl)methyl]-2-(1-methoxycyclobutyl)acetamide

C15H18N2O2 — CID 103520088

IUPACN-[(3-cyanophenyl)methyl]-2-(1-methoxycyclobutyl)acetamide
SMILESCOC1(CC(=O)NCc2cccc(C#N)c2)CCC1
InChIInChI=1S/C15H18N2O2/c1-19-15(6-3-7-15)9-14(18)17-11-13-5-2-4-12(8-13)10-16/h2,4-5,8H,3,6-7,9,11H2,1H3,(H,17,18)
InChIKeyUCTAJRYLXADXGL-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.13
Rot. Bonds5

About N-[(3-cyanophenyl)methyl]-2-(1-methoxycyclobutyl)acetamide

N-[(3-cyanophenyl)methyl]-2-(1-methoxycyclobutyl)acetamide (PubChem CID 103520088) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[(3-cyanophenyl)methyl]-2-(1-methoxycyclobutyl)acetamide.

Molecular Properties

Compound NameN-[(3-cyanophenyl)methyl]-2-(1-methoxycyclobutyl)acetamide
PubChem CID103520088
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-[(3-cyanophenyl)methyl]-2-(1-methoxycyclobutyl)acetamide
SMILESCOC1(CC(=O)NCc2cccc(C#N)c2)CCC1
InChIInChI=1S/C15H18N2O2/c1-19-15(6-3-7-15)9-14(18)17-11-13-5-2-4-12(8-13)10-16/h2,4-5,8H,3,6-7,9,11H2,1H3,(H,17,18)
InChIKeyUCTAJRYLXADXGL-UHFFFAOYSA-N
XLogP2.13
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-cyanophenyl)methyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111520470
N-[(3-cyanophenyl)methyl]butanamide
CID 47161651
N-[[4-(bromomethyl)phenyl]methyl]-2-(1-methoxycyclobutyl)acetamide
CID 107233900
1-[(3-cyanophenyl)methyl]-3-propan-2-ylurea
CID 47186523
N-[(3-cyanophenyl)methyl]-4-(methylamino)butanamide
CID 54936460
1-[(3-cyanophenyl)methyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936552
N-[(3-cyanophenyl)methyl]-2-piperidin-3-ylacetamide
CID 62676322
N-[(3-cyanophenyl)methyl]-2-(oxolan-2-yl)acetamide
CID 60769167
N-[(3-cyanophenyl)methyl]cyclopentanecarboxamide
CID 47161592
N-[(3-cyanophenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 86926437
2-(3-chlorophenyl)-N-[(3-cyanophenyl)methyl]acetamide
CID 62503408
2-chloro-N-[(3-cyanophenyl)methylcarbamoyl]acetamide
CID 62313877

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyanophenyl)methyl]-2-(1-methoxycyclobutyl)acetamide?
The IUPAC name of N-[(3-cyanophenyl)methyl]-2-(1-methoxycyclobutyl)acetamide (CID 103520088) is N-[(3-cyanophenyl)methyl]-2-(1-methoxycyclobutyl)acetamide.
What is the SMILES notation for N-[(3-cyanophenyl)methyl]-2-(1-methoxycyclobutyl)acetamide?
The canonical SMILES for N-[(3-cyanophenyl)methyl]-2-(1-methoxycyclobutyl)acetamide is COC1(CC(=O)NCc2cccc(C#N)c2)CCC1.
What is the InChIKey of N-[(3-cyanophenyl)methyl]-2-(1-methoxycyclobutyl)acetamide?
The InChIKey is UCTAJRYLXADXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-19-15(6-3-7-15)9-14(18)17-11-13-5-2-4-12(8-13)10-16/h2,4-5,8H,3,6-7,9,11H2,1H3,(H,17,18).
What are the key properties of N-[(3-cyanophenyl)methyl]-2-(1-methoxycyclobutyl)acetamide?
N-[(3-cyanophenyl)methyl]-2-(1-methoxycyclobutyl)acetamide has a molecular weight of 258.32 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyanophenyl)methyl]-2-(1-methoxycyclobutyl)acetamide is sourced from PubChem (CID 103520088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).