N-(2-cyanocyclopentyl)-3-methoxy-3-methylbutanamide

C12H20N2O2 — CID 103020169

IUPACN-(2-cyanocyclopentyl)-3-methoxy-3-methylbutanamide
SMILESCOC(C)(C)CC(=O)NC1CCCC1C#N
InChIInChI=1S/C12H20N2O2/c1-12(2,16-3)7-11(15)14-10-6-4-5-9(10)8-13/h9-10H,4-7H2,1-3H3,(H,14,15)
InChIKeyQPSSXIDNXJQRCU-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.61
Rot. Bonds4

About N-(2-cyanocyclopentyl)-3-methoxy-3-methylbutanamide

N-(2-cyanocyclopentyl)-3-methoxy-3-methylbutanamide (PubChem CID 103020169) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-(2-cyanocyclopentyl)-3-methoxy-3-methylbutanamide.

Molecular Properties

Compound NameN-(2-cyanocyclopentyl)-3-methoxy-3-methylbutanamide
PubChem CID103020169
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-(2-cyanocyclopentyl)-3-methoxy-3-methylbutanamide
SMILESCOC(C)(C)CC(=O)NC1CCCC1C#N
InChIInChI=1S/C12H20N2O2/c1-12(2,16-3)7-11(15)14-10-6-4-5-9(10)8-13/h9-10H,4-7H2,1-3H3,(H,14,15)
InChIKeyQPSSXIDNXJQRCU-UHFFFAOYSA-N
XLogP1.61
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanocyclopentyl)-3-methoxy-3-methylbutanamide?
The IUPAC name of N-(2-cyanocyclopentyl)-3-methoxy-3-methylbutanamide (CID 103020169) is N-(2-cyanocyclopentyl)-3-methoxy-3-methylbutanamide.
What is the SMILES notation for N-(2-cyanocyclopentyl)-3-methoxy-3-methylbutanamide?
The canonical SMILES for N-(2-cyanocyclopentyl)-3-methoxy-3-methylbutanamide is COC(C)(C)CC(=O)NC1CCCC1C#N.
What is the InChIKey of N-(2-cyanocyclopentyl)-3-methoxy-3-methylbutanamide?
The InChIKey is QPSSXIDNXJQRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-12(2,16-3)7-11(15)14-10-6-4-5-9(10)8-13/h9-10H,4-7H2,1-3H3,(H,14,15).
What are the key properties of N-(2-cyanocyclopentyl)-3-methoxy-3-methylbutanamide?
N-(2-cyanocyclopentyl)-3-methoxy-3-methylbutanamide has a molecular weight of 224.30 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanocyclopentyl)-3-methoxy-3-methylbutanamide is sourced from PubChem (CID 103020169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).