4-[4-[ethyl(2-phenylethyl)amino]oxan-2-yl]-N,N-dimethylbenzamide

C24H32N2O2 — CID 172640803

IUPAC4-[4-[ethyl(2-phenylethyl)amino]oxan-2-yl]-N,N-dimethylbenzamide
SMILESCCN(CCc1ccccc1)C1CCOC(c2ccc(C(=O)N(C)C)cc2)C1
InChIInChI=1S/C24H32N2O2/c1-4-26(16-14-19-8-6-5-7-9-19)22-15-17-28-23(18-22)20-10-12-21(13-11-20)24(27)25(2)3/h5-13,22-23H,4,14-18H2,1-3H3
InChIKeyVMEOWRCUCDWGRV-UHFFFAOYSA-N
MW380.53 g/mol
LogP4.17
Rot. Bonds7

About 4-[4-[ethyl(2-phenylethyl)amino]oxan-2-yl]-N,N-dimethylbenzamide

4-[4-[ethyl(2-phenylethyl)amino]oxan-2-yl]-N,N-dimethylbenzamide (PubChem CID 172640803) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is 4-[4-[ethyl(2-phenylethyl)amino]oxan-2-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[4-[ethyl(2-phenylethyl)amino]oxan-2-yl]-N,N-dimethylbenzamide
PubChem CID172640803
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name4-[4-[ethyl(2-phenylethyl)amino]oxan-2-yl]-N,N-dimethylbenzamide
SMILESCCN(CCc1ccccc1)C1CCOC(c2ccc(C(=O)N(C)C)cc2)C1
InChIInChI=1S/C24H32N2O2/c1-4-26(16-14-19-8-6-5-7-9-19)22-15-17-28-23(18-22)20-10-12-21(13-11-20)24(27)25(2)3/h5-13,22-23H,4,14-18H2,1-3H3
InChIKeyVMEOWRCUCDWGRV-UHFFFAOYSA-N
XLogP4.17
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-[(2S,4R)-2-[4-[[methyl(2-phenylethyl)amino]methyl]phenyl]oxan-4-yl]acetamide
CID 110130239
4-[(2S,4R)-4-[[4-(dimethylamino)benzoyl]-ethylamino]oxan-2-yl]-N,N-dimethylbenzamide
CID 110130622
N-ethyl-N-(2-phenylethyl)azetidin-3-amine
CID 66182276
4-[2-[ethyl(oxetan-3-yl)amino]ethyl]benzoic acid
CID 167283539
N-[(2S,4R)-2-[4-[[cyclohexyl(methyl)amino]methyl]phenyl]oxan-4-yl]-N-ethylacetamide
CID 110130244
N-ethyl-2-[oxolan-3-yl(2-phenylethyl)amino]acetamide
CID 71859131
methyl (2R)-3-[(2S)-4-[4-(dimethylcarbamoyl)phenyl]butan-2-yl]-5-phenyl-1,3-oxazolidine-2-carboxylate
CID 70392778
N-[(2S,4S)-2-(4-fluorophenyl)oxan-4-yl]-N,3,5-trimethylbenzamide
CID 125137566
N-[4-[(2S,4R)-4-(diethylamino)oxan-2-yl]phenyl]-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide
CID 110130013
ethane;N-methyl-N-(2-phenylethyl)benzamide
CID 143447769
4-ethyl-N-[2-(4-fluorophenyl)oxan-4-yl]-N-methylpyridine-2-carboxamide
CID 122141274
2-(dimethylamino)-2-ethyl-1-(4-morpholin-2-ylphenyl)-4-phenylbutan-1-one
CID 174401139

Frequently Asked Questions

What is the IUPAC name of 4-[4-[ethyl(2-phenylethyl)amino]oxan-2-yl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[4-[ethyl(2-phenylethyl)amino]oxan-2-yl]-N,N-dimethylbenzamide (CID 172640803) is 4-[4-[ethyl(2-phenylethyl)amino]oxan-2-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[4-[ethyl(2-phenylethyl)amino]oxan-2-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[4-[ethyl(2-phenylethyl)amino]oxan-2-yl]-N,N-dimethylbenzamide is CCN(CCc1ccccc1)C1CCOC(c2ccc(C(=O)N(C)C)cc2)C1.
What is the InChIKey of 4-[4-[ethyl(2-phenylethyl)amino]oxan-2-yl]-N,N-dimethylbenzamide?
The InChIKey is VMEOWRCUCDWGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-4-26(16-14-19-8-6-5-7-9-19)22-15-17-28-23(18-22)20-10-12-21(13-11-20)24(27)25(2)3/h5-13,22-23H,4,14-18H2,1-3H3.
What are the key properties of 4-[4-[ethyl(2-phenylethyl)amino]oxan-2-yl]-N,N-dimethylbenzamide?
4-[4-[ethyl(2-phenylethyl)amino]oxan-2-yl]-N,N-dimethylbenzamide has a molecular weight of 380.53 g/mol, XLogP of 4.17, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[ethyl(2-phenylethyl)amino]oxan-2-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 172640803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).