2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]hexanamide

C11H22N2O3 — CID 106101365

IUPAC2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]hexanamide
SMILESCCCCC(N)C(=O)NCC1(O)CCOC1
InChIInChI=1S/C11H22N2O3/c1-2-3-4-9(12)10(14)13-7-11(15)5-6-16-8-11/h9,15H,2-8,12H2,1H3,(H,13,14)
InChIKeyQCOOSPVXVQMSOU-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.23
Rot. Bonds6

About 2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]hexanamide

2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]hexanamide (PubChem CID 106101365) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]hexanamide.

Molecular Properties

Compound Name2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]hexanamide
PubChem CID106101365
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]hexanamide
SMILESCCCCC(N)C(=O)NCC1(O)CCOC1
InChIInChI=1S/C11H22N2O3/c1-2-3-4-9(12)10(14)13-7-11(15)5-6-16-8-11/h9,15H,2-8,12H2,1H3,(H,13,14)
InChIKeyQCOOSPVXVQMSOU-UHFFFAOYSA-N
XLogP-0.23
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-4-methylpentanamide
CID 106101485
2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
CID 106101394
(2S)-2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-3,3-dimethylbutanamide
CID 106101444
3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide
CID 106101303
(2R)-2-amino-N-[(4-methyloxan-4-yl)methyl]pentanamide
CID 103798081
2-amino-N-[(1-methylcyclohexyl)methyl]hexanamide
CID 103832772
2-acetamido-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
CID 103849532
1-[(2-aminohexanoylamino)methyl]cyclopentane-1-carboxylic acid
CID 113309229
2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-2-(4-methylphenyl)acetamide
CID 106312973
3-[(heptan-2-ylamino)methyl]oxolan-3-ol
CID 115896429
(2S)-2-amino-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]hexanamide
CID 113357272
2-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]pentanamide;hydrochloride
CID 119336131

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]hexanamide?
The IUPAC name of 2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]hexanamide (CID 106101365) is 2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]hexanamide.
What is the SMILES notation for 2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]hexanamide?
The canonical SMILES for 2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]hexanamide is CCCCC(N)C(=O)NCC1(O)CCOC1.
What is the InChIKey of 2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]hexanamide?
The InChIKey is QCOOSPVXVQMSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-2-3-4-9(12)10(14)13-7-11(15)5-6-16-8-11/h9,15H,2-8,12H2,1H3,(H,13,14).
What are the key properties of 2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]hexanamide?
2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]hexanamide has a molecular weight of 230.31 g/mol, XLogP of -0.23, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]hexanamide is sourced from PubChem (CID 106101365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).