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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Related Compounds

4-(aminomethyl)-N-(3-ethoxy-2,2-diethylcyclobutyl)-N-methylbenzamide;hydrochloride
CID 119344435
2-[(3-ethoxy-2,2-dimethylcyclobutyl)-methylcarbamoyl]pyridine-4-carboxylic acid
CID 122056007
N-[(1R,3S)-3-ethoxy-2,2-diethylcyclobutyl]-N,1-dimethyl-6-oxopyridine-3-carboxamide
CID 96569694
2-amino-N-[(1R,3R)-3-ethoxy-2,2-diethylcyclobutyl]-N-methylacetamide
CID 99592428
2-amino-N-[(1S,3R)-3-ethoxy-2,2-diethylcyclobutyl]-N-methylacetamide
CID 99592433
N-[(1S,3R)-2,2-diethyl-3-methoxycyclobutyl]-N,2-dimethylpyrazole-3-carboxamide
CID 97096634
N,2-dimethyl-N-[(2R)-4-methylpentan-2-yl]pyrimidine-4-carboxamide
CID 97313105
6-(dimethylamino)-N-[(1R,3S)-3-ethoxyspiro[3.4]octan-1-yl]-N-methylpyridazine-3-carboxamide
CID 97317791
3-[[(3-ethoxy-2,2-diethylcyclobutyl)-methylamino]methyl]benzoic acid
CID 122029387
N-[(1R,3S)-3-butoxy-2,2-dimethylcyclobutyl]-N-methylpyrido[2,3-b]pyrazine-6-carboxamide
CID 124848711
N-[(1R,3R)-3-butoxy-2,2-dimethylcyclobutyl]-N-methylpyrido[2,3-b]pyrazine-6-carboxamide
CID 124848713
N-[(1S,3S)-3-butoxy-2,2-dimethylcyclobutyl]-4-cyano-N-methylpyridine-2-carboxamide
CID 124877466

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).