4-amino-2-methyl-N-(oxan-2-ylmethyl)butanamide

C11H22N2O2 — CID 80543915

IUPAC4-amino-2-methyl-N-(oxan-2-ylmethyl)butanamide
SMILESCC(CCN)C(=O)NCC1CCCCO1
InChIInChI=1S/C11H22N2O2/c1-9(5-6-12)11(14)13-8-10-4-2-3-7-15-10/h9-10H,2-8,12H2,1H3,(H,13,14)
InChIKeyGLUFTDKHVADUPN-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.66
Rot. Bonds5

About 4-amino-2-methyl-N-(oxan-2-ylmethyl)butanamide

4-amino-2-methyl-N-(oxan-2-ylmethyl)butanamide (PubChem CID 80543915) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-amino-2-methyl-N-(oxan-2-ylmethyl)butanamide.

Molecular Properties

Compound Name4-amino-2-methyl-N-(oxan-2-ylmethyl)butanamide
PubChem CID80543915
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name4-amino-2-methyl-N-(oxan-2-ylmethyl)butanamide
SMILESCC(CCN)C(=O)NCC1CCCCO1
InChIInChI=1S/C11H22N2O2/c1-9(5-6-12)11(14)13-8-10-4-2-3-7-15-10/h9-10H,2-8,12H2,1H3,(H,13,14)
InChIKeyGLUFTDKHVADUPN-UHFFFAOYSA-N
XLogP0.66
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(oxolan-2-ylmethyl)propanamide
CID 61145996
2-amino-N-(oxolan-2-ylmethyl)propanamide
CID 24697469
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 40531863
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-4-amino-2-methylbutanamide
CID 80545100
2-methyl-3-(oxolan-2-ylmethylcarbamoylamino)propanoic acid
CID 62669383
(2S)-2-amino-3-methyl-N-(oxolan-2-ylmethyl)pentanamide
CID 61174562
(2R)-2-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 94067063
4-amino-N-[(4-ethylcyclohexyl)methyl]-2-methylbutanamide
CID 80543097
4-amino-2-methyl-N-[1-(oxolan-2-yl)ethyl]butanamide
CID 80542445
(2S)-N-[[(2S)-oxolan-2-yl]methyl]-2-(propanoylamino)propanamide
CID 94796972
4-amino-2-methyl-N,N-bis(oxolan-2-ylmethyl)butanamide
CID 80543187
2-amino-4-methoxy-N-(oxolan-2-ylmethyl)butanamide
CID 62472979

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-N-(oxan-2-ylmethyl)butanamide?
The IUPAC name of 4-amino-2-methyl-N-(oxan-2-ylmethyl)butanamide (CID 80543915) is 4-amino-2-methyl-N-(oxan-2-ylmethyl)butanamide.
What is the SMILES notation for 4-amino-2-methyl-N-(oxan-2-ylmethyl)butanamide?
The canonical SMILES for 4-amino-2-methyl-N-(oxan-2-ylmethyl)butanamide is CC(CCN)C(=O)NCC1CCCCO1.
What is the InChIKey of 4-amino-2-methyl-N-(oxan-2-ylmethyl)butanamide?
The InChIKey is GLUFTDKHVADUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-9(5-6-12)11(14)13-8-10-4-2-3-7-15-10/h9-10H,2-8,12H2,1H3,(H,13,14).
What are the key properties of 4-amino-2-methyl-N-(oxan-2-ylmethyl)butanamide?
4-amino-2-methyl-N-(oxan-2-ylmethyl)butanamide has a molecular weight of 214.31 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-N-(oxan-2-ylmethyl)butanamide is sourced from PubChem (CID 80543915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).