N-(2-cyanoethyl)-3-methoxy-3-methyl-N-(2-methylpropyl)butanamide

C13H24N2O2 — CID 103020143

IUPACN-(2-cyanoethyl)-3-methoxy-3-methyl-N-(2-methylpropyl)butanamide
SMILESCOC(C)(C)CC(=O)N(CCC#N)CC(C)C
InChIInChI=1S/C13H24N2O2/c1-11(2)10-15(8-6-7-14)12(16)9-13(3,4)17-5/h11H,6,8-10H2,1-5H3
InChIKeyVRCXUDPEAVDUPC-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.20
Rot. Bonds7

About N-(2-cyanoethyl)-3-methoxy-3-methyl-N-(2-methylpropyl)butanamide

N-(2-cyanoethyl)-3-methoxy-3-methyl-N-(2-methylpropyl)butanamide (PubChem CID 103020143) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-(2-cyanoethyl)-3-methoxy-3-methyl-N-(2-methylpropyl)butanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-3-methoxy-3-methyl-N-(2-methylpropyl)butanamide
PubChem CID103020143
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-(2-cyanoethyl)-3-methoxy-3-methyl-N-(2-methylpropyl)butanamide
SMILESCOC(C)(C)CC(=O)N(CCC#N)CC(C)C
InChIInChI=1S/C13H24N2O2/c1-11(2)10-15(8-6-7-14)12(16)9-13(3,4)17-5/h11H,6,8-10H2,1-5H3
InChIKeyVRCXUDPEAVDUPC-UHFFFAOYSA-N
XLogP2.20
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-3-methoxy-3-methyl-N-(2-methylpropyl)butanamide?
The IUPAC name of N-(2-cyanoethyl)-3-methoxy-3-methyl-N-(2-methylpropyl)butanamide (CID 103020143) is N-(2-cyanoethyl)-3-methoxy-3-methyl-N-(2-methylpropyl)butanamide.
What is the SMILES notation for N-(2-cyanoethyl)-3-methoxy-3-methyl-N-(2-methylpropyl)butanamide?
The canonical SMILES for N-(2-cyanoethyl)-3-methoxy-3-methyl-N-(2-methylpropyl)butanamide is COC(C)(C)CC(=O)N(CCC#N)CC(C)C.
What is the InChIKey of N-(2-cyanoethyl)-3-methoxy-3-methyl-N-(2-methylpropyl)butanamide?
The InChIKey is VRCXUDPEAVDUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-11(2)10-15(8-6-7-14)12(16)9-13(3,4)17-5/h11H,6,8-10H2,1-5H3.
What are the key properties of N-(2-cyanoethyl)-3-methoxy-3-methyl-N-(2-methylpropyl)butanamide?
N-(2-cyanoethyl)-3-methoxy-3-methyl-N-(2-methylpropyl)butanamide has a molecular weight of 240.35 g/mol, XLogP of 2.20, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-3-methoxy-3-methyl-N-(2-methylpropyl)butanamide is sourced from PubChem (CID 103020143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).