N-(3-methylbutyl)oxane-4-carboxamide

C11H21NO2 — CID 51110017

IUPACN-(3-methylbutyl)oxane-4-carboxamide
SMILESCC(C)CCNC(=O)C1CCOCC1
InChIInChI=1S/C11H21NO2/c1-9(2)3-6-12-11(13)10-4-7-14-8-5-10/h9-10H,3-8H2,1-2H3,(H,12,13)
InChIKeyKFRPKPZDMHESAQ-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.58
Rot. Bonds4

About N-(3-methylbutyl)oxane-4-carboxamide

N-(3-methylbutyl)oxane-4-carboxamide (PubChem CID 51110017) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is N-(3-methylbutyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)oxane-4-carboxamide
PubChem CID51110017
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC NameN-(3-methylbutyl)oxane-4-carboxamide
SMILESCC(C)CCNC(=O)C1CCOCC1
InChIInChI=1S/C11H21NO2/c1-9(2)3-6-12-11(13)10-4-7-14-8-5-10/h9-10H,3-8H2,1-2H3,(H,12,13)
InChIKeyKFRPKPZDMHESAQ-UHFFFAOYSA-N
XLogP1.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-(3-methylbutyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144333
N-(3-bromobutyl)oxolane-3-carboxamide
CID 114312616
N-(2-aminopropyl)oxane-4-carboxamide
CID 15035314
N-[(3S)-3-[(1-methylsulfonylcyclopentanecarbonyl)amino]butyl]oxane-4-carboxamide
CID 138048746
N-(4-bromobutyl)oxane-4-carboxamide
CID 106845809
N-[2-oxo-2-(propan-2-ylamino)ethyl]oxane-4-carboxamide
CID 51220547
N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]oxane-4-carboxamide
CID 113065636
N-(3-amino-3-phenylpropyl)oxane-4-carboxamide
CID 80506614
N-[2-[acetyl(cyclopropyl)amino]ethyl]oxane-4-carboxamide
CID 113052174
N-[2-(3-methylbutylamino)-2-oxoethyl]cyclohexanecarboxamide
CID 112995138
1-(2-amino-2-oxoethyl)-N-(3-methylbutyl)piperidine-4-carboxamide
CID 16909145
N-(4-chlorobutan-2-yl)oxane-4-carboxamide
CID 83180658

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)oxane-4-carboxamide?
The IUPAC name of N-(3-methylbutyl)oxane-4-carboxamide (CID 51110017) is N-(3-methylbutyl)oxane-4-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)oxane-4-carboxamide?
The canonical SMILES for N-(3-methylbutyl)oxane-4-carboxamide is CC(C)CCNC(=O)C1CCOCC1.
What is the InChIKey of N-(3-methylbutyl)oxane-4-carboxamide?
The InChIKey is KFRPKPZDMHESAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9(2)3-6-12-11(13)10-4-7-14-8-5-10/h9-10H,3-8H2,1-2H3,(H,12,13).
What are the key properties of N-(3-methylbutyl)oxane-4-carboxamide?
N-(3-methylbutyl)oxane-4-carboxamide has a molecular weight of 199.29 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)oxane-4-carboxamide is sourced from PubChem (CID 51110017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).