N-[(3R)-2-methylpentan-3-yl]-2-(oxan-4-yl)acetamide

C13H25NO2 — CID 169194388

IUPACN-[(3R)-2-methylpentan-3-yl]-2-(oxan-4-yl)acetamide
SMILESCC[C@@H](NC(=O)CC1CCOCC1)C(C)C
InChIInChI=1S/C13H25NO2/c1-4-12(10(2)3)14-13(15)9-11-5-7-16-8-6-11/h10-12H,4-9H2,1-3H3,(H,14,15)/t12-/m1/s1
InChIKeyZYIRFIWQAZJSKT-GFCCVEGCSA-N
MW227.35 g/mol
LogP2.35
Rot. Bonds5

About N-[(3R)-2-methylpentan-3-yl]-2-(oxan-4-yl)acetamide

N-[(3R)-2-methylpentan-3-yl]-2-(oxan-4-yl)acetamide (PubChem CID 169194388) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-[(3R)-2-methylpentan-3-yl]-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound NameN-[(3R)-2-methylpentan-3-yl]-2-(oxan-4-yl)acetamide
PubChem CID169194388
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-[(3R)-2-methylpentan-3-yl]-2-(oxan-4-yl)acetamide
SMILESCC[C@@H](NC(=O)CC1CCOCC1)C(C)C
InChIInChI=1S/C13H25NO2/c1-4-12(10(2)3)14-13(15)9-11-5-7-16-8-6-11/h10-12H,4-9H2,1-3H3,(H,14,15)/t12-/m1/s1
InChIKeyZYIRFIWQAZJSKT-GFCCVEGCSA-N
XLogP2.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3R)-2-methylpentan-3-yl]-2-(oxan-4-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-methyl-N-(oxan-4-ylmethyl)pentanamide
CID 99739825
(2S)-2-methyl-N-[(4-methyloxan-4-yl)methyl]pentanamide
CID 99740333
(3S)-N-[(1-ethylcyclopropyl)methyl]oxane-3-carboxamide
CID 99775524
Glutaric acid, monoamide, N-(3-pentyl)-, isohexyl ester
CID 91706345
N-[(1R,2R)-2-ethylcyclohexyl]-2-(oxan-4-yl)acetamide
CID 134859262
N-(1,1,1-trifluoro-3,3-dimethylbutan-2-yl)oxane-3-carboxamide
CID 71986117
5-methoxy-N-[3-(trifluoromethyl)cyclohexyl]pentanamide
CID 86812848
(3R)-N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]oxane-3-carboxamide
CID 97586054
(3R)-N-[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]oxane-3-carboxamide
CID 97586055
(3S)-N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]oxane-3-carboxamide
CID 97586056
(3S)-N-[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]oxane-3-carboxamide
CID 97586057
5-methoxy-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]pentanamide
CID 99595777

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-2-methylpentan-3-yl]-2-(oxan-4-yl)acetamide?
The IUPAC name of N-[(3R)-2-methylpentan-3-yl]-2-(oxan-4-yl)acetamide (CID 169194388) is N-[(3R)-2-methylpentan-3-yl]-2-(oxan-4-yl)acetamide.
What is the SMILES notation for N-[(3R)-2-methylpentan-3-yl]-2-(oxan-4-yl)acetamide?
The canonical SMILES for N-[(3R)-2-methylpentan-3-yl]-2-(oxan-4-yl)acetamide is CC[C@@H](NC(=O)CC1CCOCC1)C(C)C.
What is the InChIKey of N-[(3R)-2-methylpentan-3-yl]-2-(oxan-4-yl)acetamide?
The InChIKey is ZYIRFIWQAZJSKT-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H25NO2/c1-4-12(10(2)3)14-13(15)9-11-5-7-16-8-6-11/h10-12H,4-9H2,1-3H3,(H,14,15)/t12-/m1/s1.
What are the key properties of N-[(3R)-2-methylpentan-3-yl]-2-(oxan-4-yl)acetamide?
N-[(3R)-2-methylpentan-3-yl]-2-(oxan-4-yl)acetamide has a molecular weight of 227.35 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-2-methylpentan-3-yl]-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 169194388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).