N-methyl-3-(oxan-3-ylamino)butanamide

C10H20N2O2 — CID 115717949

IUPACN-methyl-3-(oxan-3-ylamino)butanamide
SMILESCNC(=O)CC(C)NC1CCCOC1
InChIInChI=1S/C10H20N2O2/c1-8(6-10(13)11-2)12-9-4-3-5-14-7-9/h8-9,12H,3-7H2,1-2H3,(H,11,13)
InChIKeyJOEQRFYHNQNDOD-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.28
Rot. Bonds4

About N-methyl-3-(oxan-3-ylamino)butanamide

N-methyl-3-(oxan-3-ylamino)butanamide (PubChem CID 115717949) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is N-methyl-3-(oxan-3-ylamino)butanamide.

Molecular Properties

Compound NameN-methyl-3-(oxan-3-ylamino)butanamide
PubChem CID115717949
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC NameN-methyl-3-(oxan-3-ylamino)butanamide
SMILESCNC(=O)CC(C)NC1CCCOC1
InChIInChI=1S/C10H20N2O2/c1-8(6-10(13)11-2)12-9-4-3-5-14-7-9/h8-9,12H,3-7H2,1-2H3,(H,11,13)
InChIKeyJOEQRFYHNQNDOD-UHFFFAOYSA-N
XLogP0.28
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-methyl-2-(oxan-3-ylamino)propanamide
CID 130727521
N'-hydroxy-3-(oxan-3-ylamino)butanimidamide
CID 77028497
(3R)-3-(oxan-3-ylamino)butan-1-ol
CID 103871769
3-[(3-ethylcyclohexyl)amino]-N-methylbutanamide
CID 115723133
N-butyl-2-(oxan-3-ylamino)propanamide
CID 63363455
3-(oxan-3-ylcarbamoylamino)butanoic acid
CID 63361778
2-(oxan-3-ylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 115713809
2-methyl-3-(oxan-3-ylamino)butan-1-ol
CID 115722841
N-(4-ethylsulfanylbutan-2-yl)oxan-3-amine
CID 115725520
N-(2-methylpropyl)-2-(oxan-3-ylamino)acetamide
CID 63363449
(3S)-N-(1-cyclobutylethyl)oxan-3-amine
CID 130735135
(3R)-N-methyloxan-3-amine
CID 58327948

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(oxan-3-ylamino)butanamide?
The IUPAC name of N-methyl-3-(oxan-3-ylamino)butanamide (CID 115717949) is N-methyl-3-(oxan-3-ylamino)butanamide.
What is the SMILES notation for N-methyl-3-(oxan-3-ylamino)butanamide?
The canonical SMILES for N-methyl-3-(oxan-3-ylamino)butanamide is CNC(=O)CC(C)NC1CCCOC1.
What is the InChIKey of N-methyl-3-(oxan-3-ylamino)butanamide?
The InChIKey is JOEQRFYHNQNDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-8(6-10(13)11-2)12-9-4-3-5-14-7-9/h8-9,12H,3-7H2,1-2H3,(H,11,13).
What are the key properties of N-methyl-3-(oxan-3-ylamino)butanamide?
N-methyl-3-(oxan-3-ylamino)butanamide has a molecular weight of 200.28 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(oxan-3-ylamino)butanamide is sourced from PubChem (CID 115717949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).