2-amino-N-(2-hydroxy-4,4-dimethylpentyl)-2-(oxan-4-yl)acetamide

C14H28N2O3 — CID 120793986

IUPAC2-amino-N-(2-hydroxy-4,4-dimethylpentyl)-2-(oxan-4-yl)acetamide
SMILESCC(C)(C)CC(O)CNC(=O)C(N)C1CCOCC1
InChIInChI=1S/C14H28N2O3/c1-14(2,3)8-11(17)9-16-13(18)12(15)10-4-6-19-7-5-10/h10-12,17H,4-9,15H2,1-3H3,(H,16,18)
InChIKeyIELLKCSTFQFJOI-UHFFFAOYSA-N
MW272.39 g/mol
LogP0.65
Rot. Bonds5

About 2-amino-N-(2-hydroxy-4,4-dimethylpentyl)-2-(oxan-4-yl)acetamide

2-amino-N-(2-hydroxy-4,4-dimethylpentyl)-2-(oxan-4-yl)acetamide (PubChem CID 120793986) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-amino-N-(2-hydroxy-4,4-dimethylpentyl)-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-(2-hydroxy-4,4-dimethylpentyl)-2-(oxan-4-yl)acetamide
PubChem CID120793986
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name2-amino-N-(2-hydroxy-4,4-dimethylpentyl)-2-(oxan-4-yl)acetamide
SMILESCC(C)(C)CC(O)CNC(=O)C(N)C1CCOCC1
InChIInChI=1S/C14H28N2O3/c1-14(2,3)8-11(17)9-16-13(18)12(15)10-4-6-19-7-5-10/h10-12,17H,4-9,15H2,1-3H3,(H,16,18)
InChIKeyIELLKCSTFQFJOI-UHFFFAOYSA-N
XLogP0.65
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R,4R)-4-hydroxy-1-[2-(oxan-4-yl)acetyl]pyrrolidin-3-yl]acetamide
CID 110132911
5S-hydroxynorvaline-S-Ile
CID 146684494
(3S,6S)-3-[(2S)-4-hydroxybutan-2-yl]-6-(2-methylpropyl)piperazine-2,5-dione
CID 175665091
2-amino-2-(oxan-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide;hydrochloride
CID 120789401
2-amino-2-(oxan-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 120789402
N~1~-{[4-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]methyl}-N~1~-methyl-D-leucinamide
CID 56875149
(2S)-2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-3,3-dimethylbutanamide
CID 58124625
(2S)-2-amino-1-[(3S,4R,5R)-3-hydroxy-5-(hydroxymethyl)-4-methylpiperidin-1-yl]-4-methylpentan-1-one
CID 68374724
(2S)-2-amino-1-[(3S,5R)-3-hydroxy-5-(hydroxymethyl)piperidin-1-yl]-4-methylpentan-1-one
CID 68374730
2-Amino-1-[3-hydroxy-5-(hydroxymethyl)piperidin-1-yl]-4-methylpentan-1-one
CID 77471900
2-amino-N-[(3S)-4-ethyl-2-oxohexan-3-yl]-2-(4-methyloxan-4-yl)acetamide
CID 156393687
(3S,6S)-3-(4-hydroxybutan-2-yl)-6-(2-methylpropyl)piperazine-2,5-dione
CID 163859930

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-hydroxy-4,4-dimethylpentyl)-2-(oxan-4-yl)acetamide?
The IUPAC name of 2-amino-N-(2-hydroxy-4,4-dimethylpentyl)-2-(oxan-4-yl)acetamide (CID 120793986) is 2-amino-N-(2-hydroxy-4,4-dimethylpentyl)-2-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-(2-hydroxy-4,4-dimethylpentyl)-2-(oxan-4-yl)acetamide?
The canonical SMILES for 2-amino-N-(2-hydroxy-4,4-dimethylpentyl)-2-(oxan-4-yl)acetamide is CC(C)(C)CC(O)CNC(=O)C(N)C1CCOCC1.
What is the InChIKey of 2-amino-N-(2-hydroxy-4,4-dimethylpentyl)-2-(oxan-4-yl)acetamide?
The InChIKey is IELLKCSTFQFJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-14(2,3)8-11(17)9-16-13(18)12(15)10-4-6-19-7-5-10/h10-12,17H,4-9,15H2,1-3H3,(H,16,18).
What are the key properties of 2-amino-N-(2-hydroxy-4,4-dimethylpentyl)-2-(oxan-4-yl)acetamide?
2-amino-N-(2-hydroxy-4,4-dimethylpentyl)-2-(oxan-4-yl)acetamide has a molecular weight of 272.39 g/mol, XLogP of 0.65, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-hydroxy-4,4-dimethylpentyl)-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 120793986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).