3-methyl-N-[2,2,4,4-tetramethyl-3-[(3-methyloxetane-3-carbonyl)amino]cyclobutyl]oxetane-3-carboxamide

C18H30N2O4 — CID 127812396

IUPAC3-methyl-N-[2,2,4,4-tetramethyl-3-[(3-methyloxetane-3-carbonyl)amino]cyclobutyl]oxetane-3-carboxamide
SMILESCC1(C(=O)NC2C(C)(C)C(NC(=O)C3(C)COC3)C2(C)C)COC1
InChIInChI=1S/C18H30N2O4/c1-15(2)11(19-13(21)17(5)7-23-8-17)16(3,4)12(15)20-14(22)18(6)9-24-10-18/h11-12H,7-10H2,1-6H3,(H,19,21)(H,20,22)
InChIKeyUJPNWDUOEBPSEI-UHFFFAOYSA-N
MW338.45 g/mol
LogP1.10
Rot. Bonds4

About 3-methyl-N-[2,2,4,4-tetramethyl-3-[(3-methyloxetane-3-carbonyl)amino]cyclobutyl]oxetane-3-carboxamide

3-methyl-N-[2,2,4,4-tetramethyl-3-[(3-methyloxetane-3-carbonyl)amino]cyclobutyl]oxetane-3-carboxamide (PubChem CID 127812396) has the molecular formula C18H30N2O4 and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-methyl-N-[2,2,4,4-tetramethyl-3-[(3-methyloxetane-3-carbonyl)amino]cyclobutyl]oxetane-3-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2,2,4,4-tetramethyl-3-[(3-methyloxetane-3-carbonyl)amino]cyclobutyl]oxetane-3-carboxamide
PubChem CID127812396
Molecular FormulaC18H30N2O4
Molecular Weight338.45 g/mol
Exact Mass338.22
IUPAC Name3-methyl-N-[2,2,4,4-tetramethyl-3-[(3-methyloxetane-3-carbonyl)amino]cyclobutyl]oxetane-3-carboxamide
SMILESCC1(C(=O)NC2C(C)(C)C(NC(=O)C3(C)COC3)C2(C)C)COC1
InChIInChI=1S/C18H30N2O4/c1-15(2)11(19-13(21)17(5)7-23-8-17)16(3,4)12(15)20-14(22)18(6)9-24-10-18/h11-12H,7-10H2,1-6H3,(H,19,21)(H,20,22)
InChIKeyUJPNWDUOEBPSEI-UHFFFAOYSA-N
XLogP1.10
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-methyl-N-[2,2,4,4-tetramethyl-3-[(3-methyloxetane-3-carbonyl)amino]cyclobutyl]oxetane-3-carboxamide with MolForge

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Related Compounds

3-methyl-N-(2,2,4,4-tetramethylpentyl)oxetane-3-carboxamide
CID 123769535
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-propoxypropanamide
CID 79711025
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-ethoxypropanamide
CID 79711177
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-methoxypropanamide
CID 79711591
N-(1-amino-4,4-dimethylpentan-3-yl)-3-methoxypropanamide
CID 106357140
N-(1-amino-4,4-dimethylpentan-3-yl)-3-ethoxypropanamide
CID 106357215
N-(1-amino-4,4-dimethylpentan-3-yl)-3-propoxypropanamide
CID 114178169
N-(3-amino-2,2-dimethylcyclobutyl)-3-ethoxypropanamide
CID 114632453
N-(3-amino-2,2-dimethylcyclobutyl)-3-methoxypropanamide
CID 114632490
N-(3-amino-2,2-dimethylcyclobutyl)-3-propoxypropanamide
CID 114632493
3-(aminomethyl)-N-(2,2-dimethylpentyl)oxetane-3-carboxamide
CID 115185796
3-(aminomethyl)-N-(2,2,4-trimethylpentyl)oxetane-3-carboxamide
CID 115185797

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2,2,4,4-tetramethyl-3-[(3-methyloxetane-3-carbonyl)amino]cyclobutyl]oxetane-3-carboxamide?
The IUPAC name of 3-methyl-N-[2,2,4,4-tetramethyl-3-[(3-methyloxetane-3-carbonyl)amino]cyclobutyl]oxetane-3-carboxamide (CID 127812396) is 3-methyl-N-[2,2,4,4-tetramethyl-3-[(3-methyloxetane-3-carbonyl)amino]cyclobutyl]oxetane-3-carboxamide.
What is the SMILES notation for 3-methyl-N-[2,2,4,4-tetramethyl-3-[(3-methyloxetane-3-carbonyl)amino]cyclobutyl]oxetane-3-carboxamide?
The canonical SMILES for 3-methyl-N-[2,2,4,4-tetramethyl-3-[(3-methyloxetane-3-carbonyl)amino]cyclobutyl]oxetane-3-carboxamide is CC1(C(=O)NC2C(C)(C)C(NC(=O)C3(C)COC3)C2(C)C)COC1.
What is the InChIKey of 3-methyl-N-[2,2,4,4-tetramethyl-3-[(3-methyloxetane-3-carbonyl)amino]cyclobutyl]oxetane-3-carboxamide?
The InChIKey is UJPNWDUOEBPSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O4/c1-15(2)11(19-13(21)17(5)7-23-8-17)16(3,4)12(15)20-14(22)18(6)9-24-10-18/h11-12H,7-10H2,1-6H3,(H,19,21)(H,20,22).
What are the key properties of 3-methyl-N-[2,2,4,4-tetramethyl-3-[(3-methyloxetane-3-carbonyl)amino]cyclobutyl]oxetane-3-carboxamide?
3-methyl-N-[2,2,4,4-tetramethyl-3-[(3-methyloxetane-3-carbonyl)amino]cyclobutyl]oxetane-3-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2,2,4,4-tetramethyl-3-[(3-methyloxetane-3-carbonyl)amino]cyclobutyl]oxetane-3-carboxamide is sourced from PubChem (CID 127812396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).