N-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-2-(2,5-dimethylphenyl)acetamide

C19H30N2O3 — CID 91761241

IUPACN-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-2-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(CC(=O)N[C@@H]2COCC[C@@H]2OCCN(C)C)c1
InChIInChI=1S/C19H30N2O3/c1-14-5-6-15(2)16(11-14)12-19(22)20-17-13-23-9-7-18(17)24-10-8-21(3)4/h5-6,11,17-18H,7-10,12-13H2,1-4H3,(H,20,22)/t17-,18+/m1/s1
InChIKeyIXMNKJSCTBBAIU-MSOLQXFVSA-N
MW334.46 g/mol
LogP1.70
Rot. Bonds7

About N-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-2-(2,5-dimethylphenyl)acetamide

N-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-2-(2,5-dimethylphenyl)acetamide (PubChem CID 91761241) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is N-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-2-(2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-2-(2,5-dimethylphenyl)acetamide
PubChem CID91761241
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC NameN-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-2-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(CC(=O)N[C@@H]2COCC[C@@H]2OCCN(C)C)c1
InChIInChI=1S/C19H30N2O3/c1-14-5-6-15(2)16(11-14)12-19(22)20-17-13-23-9-7-18(17)24-10-8-21(3)4/h5-6,11,17-18H,7-10,12-13H2,1-4H3,(H,20,22)/t17-,18+/m1/s1
InChIKeyIXMNKJSCTBBAIU-MSOLQXFVSA-N
XLogP1.70
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethylphenyl)-N-[(3S,4R)-3-hydroxyoxan-4-yl]acetamide
CID 91771798
N-[(3S,4R)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]furan-2-carboxamide
CID 133267426
N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-2-(3,4-dimethylphenyl)acetamide
CID 91775491
N-[(3S,4R)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-3-(5-methyltetrazol-1-yl)propanamide
CID 133268591
N-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 91784775
N-[(3S,4R)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-1-methylimidazole-2-carboxamide
CID 133266265
N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-(2,5-dimethylphenyl)acetamide
CID 155915771
2-(2,5-dimethylphenyl)-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]acetamide
CID 135094048
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2-methyl-2-(4-methylphenoxy)propanamide
CID 91786617
2-(3-chloro-2,6-difluorophenyl)-N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]acetamide
CID 91784481
N-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]methanesulfonamide
CID 91798271
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2-(3-fluorophenoxy)acetamide
CID 91788685

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-2-(2,5-dimethylphenyl)acetamide?
The IUPAC name of N-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-2-(2,5-dimethylphenyl)acetamide (CID 91761241) is N-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-2-(2,5-dimethylphenyl)acetamide.
What is the SMILES notation for N-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-2-(2,5-dimethylphenyl)acetamide?
The canonical SMILES for N-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-2-(2,5-dimethylphenyl)acetamide is Cc1ccc(C)c(CC(=O)N[C@@H]2COCC[C@@H]2OCCN(C)C)c1.
What is the InChIKey of N-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-2-(2,5-dimethylphenyl)acetamide?
The InChIKey is IXMNKJSCTBBAIU-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-14-5-6-15(2)16(11-14)12-19(22)20-17-13-23-9-7-18(17)24-10-8-21(3)4/h5-6,11,17-18H,7-10,12-13H2,1-4H3,(H,20,22)/t17-,18+/m1/s1.
What are the key properties of N-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-2-(2,5-dimethylphenyl)acetamide?
N-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-2-(2,5-dimethylphenyl)acetamide has a molecular weight of 334.46 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-2-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 91761241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).