N-(3-ethoxy-2,2-diethylcyclobutyl)-N,2-dimethylpyrimidine-4-carboxamide

C17H27N3O2 — CID 71975447

IUPACN-(3-ethoxy-2,2-diethylcyclobutyl)-N,2-dimethylpyrimidine-4-carboxamide
SMILESCCOC1CC(N(C)C(=O)c2ccnc(C)n2)C1(CC)CC
InChIInChI=1S/C17H27N3O2/c1-6-17(7-2)14(11-15(17)22-8-3)20(5)16(21)13-9-10-18-12(4)19-13/h9-10,14-15H,6-8,11H2,1-5H3
InChIKeyZYJFZGCGHLKUMO-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.84
Rot. Bonds6

About N-(3-ethoxy-2,2-diethylcyclobutyl)-N,2-dimethylpyrimidine-4-carboxamide

N-(3-ethoxy-2,2-diethylcyclobutyl)-N,2-dimethylpyrimidine-4-carboxamide (PubChem CID 71975447) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-(3-ethoxy-2,2-diethylcyclobutyl)-N,2-dimethylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxy-2,2-diethylcyclobutyl)-N,2-dimethylpyrimidine-4-carboxamide
PubChem CID71975447
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN-(3-ethoxy-2,2-diethylcyclobutyl)-N,2-dimethylpyrimidine-4-carboxamide
SMILESCCOC1CC(N(C)C(=O)c2ccnc(C)n2)C1(CC)CC
InChIInChI=1S/C17H27N3O2/c1-6-17(7-2)14(11-15(17)22-8-3)20(5)16(21)13-9-10-18-12(4)19-13/h9-10,14-15H,6-8,11H2,1-5H3
InChIKeyZYJFZGCGHLKUMO-UHFFFAOYSA-N
XLogP2.84
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-2,2-diethylcyclobutyl)-N,2-dimethylpyrimidine-4-carboxamide?
The IUPAC name of N-(3-ethoxy-2,2-diethylcyclobutyl)-N,2-dimethylpyrimidine-4-carboxamide (CID 71975447) is N-(3-ethoxy-2,2-diethylcyclobutyl)-N,2-dimethylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-ethoxy-2,2-diethylcyclobutyl)-N,2-dimethylpyrimidine-4-carboxamide?
The canonical SMILES for N-(3-ethoxy-2,2-diethylcyclobutyl)-N,2-dimethylpyrimidine-4-carboxamide is CCOC1CC(N(C)C(=O)c2ccnc(C)n2)C1(CC)CC.
What is the InChIKey of N-(3-ethoxy-2,2-diethylcyclobutyl)-N,2-dimethylpyrimidine-4-carboxamide?
The InChIKey is ZYJFZGCGHLKUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-6-17(7-2)14(11-15(17)22-8-3)20(5)16(21)13-9-10-18-12(4)19-13/h9-10,14-15H,6-8,11H2,1-5H3.
What are the key properties of N-(3-ethoxy-2,2-diethylcyclobutyl)-N,2-dimethylpyrimidine-4-carboxamide?
N-(3-ethoxy-2,2-diethylcyclobutyl)-N,2-dimethylpyrimidine-4-carboxamide has a molecular weight of 305.42 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-2,2-diethylcyclobutyl)-N,2-dimethylpyrimidine-4-carboxamide is sourced from PubChem (CID 71975447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).