N-butyl-N-methyloxetane-3-carboxamide

C9H17NO2 — CID 176663831

IUPACN-butyl-N-methyloxetane-3-carboxamide
SMILESCCCCN(C)C(=O)C1COC1
InChIInChI=1S/C9H17NO2/c1-3-4-5-10(2)9(11)8-6-12-7-8/h8H,3-7H2,1-2H3
InChIKeyBSVUQTUPEJBPOQ-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.89
Rot. Bonds4

About N-butyl-N-methyloxetane-3-carboxamide

N-butyl-N-methyloxetane-3-carboxamide (PubChem CID 176663831) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N-butyl-N-methyloxetane-3-carboxamide.

Molecular Properties

Compound NameN-butyl-N-methyloxetane-3-carboxamide
PubChem CID176663831
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN-butyl-N-methyloxetane-3-carboxamide
SMILESCCCCN(C)C(=O)C1COC1
InChIInChI=1S/C9H17NO2/c1-3-4-5-10(2)9(11)8-6-12-7-8/h8H,3-7H2,1-2H3
InChIKeyBSVUQTUPEJBPOQ-UHFFFAOYSA-N
XLogP0.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-amino-N-butyl-N-methylcyclopropane-1-carboxamide
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N-(5-aminopentyl)-N-methyloxolane-3-carboxamide
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4-N-butyl-4-N-methyl-1-N-pentylcyclohexane-1,4-dicarboxamide
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N-butyl-N-methyl-1-(morpholine-3-carbonyl)piperidine-4-carboxamide
CID 119738374
N-butyl-1-(cyclopentanecarbonyl)-N-methylpiperidine-4-carboxamide
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N-butyl-N-methyl-3-methylidenecyclohexane-1-carboxamide
CID 91270181
N-butyl-1-(2-hydroxy-2-methylpropyl)-N-methylpiperidine-4-carboxamide
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methyl 4-[methyl(oxolane-3-carbonyl)amino]butanoate
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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyloxetane-3-carboxamide?
The IUPAC name of N-butyl-N-methyloxetane-3-carboxamide (CID 176663831) is N-butyl-N-methyloxetane-3-carboxamide.
What is the SMILES notation for N-butyl-N-methyloxetane-3-carboxamide?
The canonical SMILES for N-butyl-N-methyloxetane-3-carboxamide is CCCCN(C)C(=O)C1COC1.
What is the InChIKey of N-butyl-N-methyloxetane-3-carboxamide?
The InChIKey is BSVUQTUPEJBPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-3-4-5-10(2)9(11)8-6-12-7-8/h8H,3-7H2,1-2H3.
What are the key properties of N-butyl-N-methyloxetane-3-carboxamide?
N-butyl-N-methyloxetane-3-carboxamide has a molecular weight of 171.24 g/mol, XLogP of 0.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyloxetane-3-carboxamide is sourced from PubChem (CID 176663831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).