N-methyl-N-(oxan-4-ylmethyl)butanamide

C11H21NO2 — CID 64592636

IUPACN-methyl-N-(oxan-4-ylmethyl)butanamide
SMILESCCCC(=O)N(C)CC1CCOCC1
InChIInChI=1S/C11H21NO2/c1-3-4-11(13)12(2)9-10-5-7-14-8-6-10/h10H,3-9H2,1-2H3
InChIKeyXGPAAVGVIDKZQG-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.67
Rot. Bonds4

About N-methyl-N-(oxan-4-ylmethyl)butanamide

N-methyl-N-(oxan-4-ylmethyl)butanamide (PubChem CID 64592636) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is N-methyl-N-(oxan-4-ylmethyl)butanamide.

Molecular Properties

Compound NameN-methyl-N-(oxan-4-ylmethyl)butanamide
PubChem CID64592636
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC NameN-methyl-N-(oxan-4-ylmethyl)butanamide
SMILESCCCC(=O)N(C)CC1CCOCC1
InChIInChI=1S/C11H21NO2/c1-3-4-11(13)12(2)9-10-5-7-14-8-6-10/h10H,3-9H2,1-2H3
InChIKeyXGPAAVGVIDKZQG-UHFFFAOYSA-N
XLogP1.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-(tetrahydro-2H-pyran-4-ylmethyl)-1-cyclobutanecarboxamide
CID 110752448
Ethyl 1-acetylpiperidine-4-carboxylate
CID 690430
Ethyl 1-(3-methylbutanoyl)piperidine-4-carboxylate
CID 670003
1-(Oxane-4-carbonyl)piperidine
CID 24229804
N-Methyl-N-[(oxan-4-YL)methyl]pentanamide
CID 91915004
N-cyclohexyl-N-methyloxane-4-carboxamide
CID 51074436
N-(Diethylacetyl)morpholine
CID 3029382
1-[4-(2-Methoxyethoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 49670829
2-Ethyl-1-[4-(2-methoxyethyl)piperidin-1-yl]butan-1-one
CID 53150825
1-[4-(2-Methoxyethyl)piperidin-1-YL]-4-methylpentan-1-one
CID 53150834
4-(Dimethylamino)-1-[4-(2-methoxyethyl)piperidin-1-yl]butan-1-one
CID 53150899
N-Methyl-N-[(oxan-4-YL)methyl]cyclopentanecarboxamide
CID 110752398

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxan-4-ylmethyl)butanamide?
The IUPAC name of N-methyl-N-(oxan-4-ylmethyl)butanamide (CID 64592636) is N-methyl-N-(oxan-4-ylmethyl)butanamide.
What is the SMILES notation for N-methyl-N-(oxan-4-ylmethyl)butanamide?
The canonical SMILES for N-methyl-N-(oxan-4-ylmethyl)butanamide is CCCC(=O)N(C)CC1CCOCC1.
What is the InChIKey of N-methyl-N-(oxan-4-ylmethyl)butanamide?
The InChIKey is XGPAAVGVIDKZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-4-11(13)12(2)9-10-5-7-14-8-6-10/h10H,3-9H2,1-2H3.
What are the key properties of N-methyl-N-(oxan-4-ylmethyl)butanamide?
N-methyl-N-(oxan-4-ylmethyl)butanamide has a molecular weight of 199.29 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxan-4-ylmethyl)butanamide is sourced from PubChem (CID 64592636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).