N-(1-cyanopropan-2-yl)-2-(1-methoxycyclobutyl)acetamide

C11H18N2O2 — CID 103520459

IUPACN-(1-cyanopropan-2-yl)-2-(1-methoxycyclobutyl)acetamide
SMILESCOC1(CC(=O)NC(C)CC#N)CCC1
InChIInChI=1S/C11H18N2O2/c1-9(4-7-12)13-10(14)8-11(15-2)5-3-6-11/h9H,3-6,8H2,1-2H3,(H,13,14)
InChIKeyBDKXXISBKAWTLZ-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.36
Rot. Bonds5

About N-(1-cyanopropan-2-yl)-2-(1-methoxycyclobutyl)acetamide

N-(1-cyanopropan-2-yl)-2-(1-methoxycyclobutyl)acetamide (PubChem CID 103520459) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is N-(1-cyanopropan-2-yl)-2-(1-methoxycyclobutyl)acetamide.

Molecular Properties

Compound NameN-(1-cyanopropan-2-yl)-2-(1-methoxycyclobutyl)acetamide
PubChem CID103520459
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC NameN-(1-cyanopropan-2-yl)-2-(1-methoxycyclobutyl)acetamide
SMILESCOC1(CC(=O)NC(C)CC#N)CCC1
InChIInChI=1S/C11H18N2O2/c1-9(4-7-12)13-10(14)8-11(15-2)5-3-6-11/h9H,3-6,8H2,1-2H3,(H,13,14)
InChIKeyBDKXXISBKAWTLZ-UHFFFAOYSA-N
XLogP1.36
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyanobutyl)-2,2-difluoro-2-(1-hydroxycyclobutyl)acetamide
CID 109919626
N-(1-cyanopropyl)-2,2-difluoro-2-(1-hydroxycyclobutyl)acetamide
CID 109919627
2-(1-methoxycyclobutyl)-N-propan-2-ylacetamide
CID 103517320
2-(1-methoxycyclobutyl)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 164556165
N-(1-cyanopropyl)-3-methoxy-3-methylbutanamide
CID 103020104
N-(1-cyanobutyl)-3-methoxy-3-methylbutanamide
CID 103020107
N-(1-cyanopropan-2-yl)-3-methoxy-3-methylbutanamide
CID 103020156
N-(1-cyanobutan-2-yl)-3-methoxy-3-methylbutanamide
CID 103020168
N-(2-cyanocyclopentyl)-3-methoxy-3-methylbutanamide
CID 103020169
N-(4-cyanobutyl)-3-methoxy-3-methylbutanamide
CID 103020211
N-butan-2-yl-2-(1-methoxycyclobutyl)acetamide
CID 103517342
N-cyclohexyl-2-(1-methoxycyclobutyl)acetamide
CID 103517349

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopropan-2-yl)-2-(1-methoxycyclobutyl)acetamide?
The IUPAC name of N-(1-cyanopropan-2-yl)-2-(1-methoxycyclobutyl)acetamide (CID 103520459) is N-(1-cyanopropan-2-yl)-2-(1-methoxycyclobutyl)acetamide.
What is the SMILES notation for N-(1-cyanopropan-2-yl)-2-(1-methoxycyclobutyl)acetamide?
The canonical SMILES for N-(1-cyanopropan-2-yl)-2-(1-methoxycyclobutyl)acetamide is COC1(CC(=O)NC(C)CC#N)CCC1.
What is the InChIKey of N-(1-cyanopropan-2-yl)-2-(1-methoxycyclobutyl)acetamide?
The InChIKey is BDKXXISBKAWTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-9(4-7-12)13-10(14)8-11(15-2)5-3-6-11/h9H,3-6,8H2,1-2H3,(H,13,14).
What are the key properties of N-(1-cyanopropan-2-yl)-2-(1-methoxycyclobutyl)acetamide?
N-(1-cyanopropan-2-yl)-2-(1-methoxycyclobutyl)acetamide has a molecular weight of 210.28 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopropan-2-yl)-2-(1-methoxycyclobutyl)acetamide is sourced from PubChem (CID 103520459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).