N-ethyl-2-phenyl-N-[(2R,4S)-2-(3-pyrimidin-5-ylphenyl)oxan-4-yl]acetamide

C25H27N3O2 — CID 110130165

IUPACN-ethyl-2-phenyl-N-[(2R,4S)-2-(3-pyrimidin-5-ylphenyl)oxan-4-yl]acetamide
SMILESCCN(C(=O)Cc1ccccc1)[C@H]1CCO[C@@H](c2cccc(-c3cncnc3)c2)C1
InChIInChI=1S/C25H27N3O2/c1-2-28(25(29)13-19-7-4-3-5-8-19)23-11-12-30-24(15-23)21-10-6-9-20(14-21)22-16-26-18-27-17-22/h3-10,14,16-18,23-24H,2,11-13,15H2,1H3/t23-,24+/m0/s1
InChIKeyTTZYRYRAXKBXIH-BJKOFHAPSA-N
MW401.51 g/mol
LogP4.45
Rot. Bonds6

About N-ethyl-2-phenyl-N-[(2R,4S)-2-(3-pyrimidin-5-ylphenyl)oxan-4-yl]acetamide

N-ethyl-2-phenyl-N-[(2R,4S)-2-(3-pyrimidin-5-ylphenyl)oxan-4-yl]acetamide (PubChem CID 110130165) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-ethyl-2-phenyl-N-[(2R,4S)-2-(3-pyrimidin-5-ylphenyl)oxan-4-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-phenyl-N-[(2R,4S)-2-(3-pyrimidin-5-ylphenyl)oxan-4-yl]acetamide
PubChem CID110130165
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC NameN-ethyl-2-phenyl-N-[(2R,4S)-2-(3-pyrimidin-5-ylphenyl)oxan-4-yl]acetamide
SMILESCCN(C(=O)Cc1ccccc1)[C@H]1CCO[C@@H](c2cccc(-c3cncnc3)c2)C1
InChIInChI=1S/C25H27N3O2/c1-2-28(25(29)13-19-7-4-3-5-8-19)23-11-12-30-24(15-23)21-10-6-9-20(14-21)22-16-26-18-27-17-22/h3-10,14,16-18,23-24H,2,11-13,15H2,1H3/t23-,24+/m0/s1
InChIKeyTTZYRYRAXKBXIH-BJKOFHAPSA-N
XLogP4.45
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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-[4-[ethyl(2-phenylethyl)amino]oxan-2-yl]-N,N-dimethylbenzamide
CID 172640803
4-amino-N-[(2R,4S)-2-[4-(3,5-difluorophenyl)phenyl]oxan-4-yl]-N-ethyl-1,2,5-oxadiazole-3-carboxamide
CID 110130135
N-cyclopentyl-N-ethyl-2-(3-fluorophenyl)acetamide
CID 86926971
N-[(2S,4R)-2-[4-[[cyclohexyl(methyl)amino]methyl]phenyl]oxan-4-yl]-N-ethylacetamide
CID 110130244
4-[(2S,4R)-4-[[4-(dimethylamino)benzoyl]-ethylamino]oxan-2-yl]-N,N-dimethylbenzamide
CID 110130622
N-cyclopropyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-phenylacetamide
CID 814043
N-[3-[(2S,4R)-4-(diethylamino)oxan-2-yl]phenyl]-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole-3-carboxamide
CID 110129969
ethyl 3-(2-phenyloxan-4-yl)benzoate
CID 134942481
N-ethyl-N-[(2S,4R)-2-[4-[(3-methyl-2-pyridinyl)carbamoyl]phenyl]oxan-4-yl]pyrazine-2-carboxamide
CID 110130618
N-cyclohexyl-N-ethyl-3-phenylpropanamide
CID 670110
N-cyclopropyl-2-(dibenzylamino)-N-ethylacetamide
CID 52675045

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-phenyl-N-[(2R,4S)-2-(3-pyrimidin-5-ylphenyl)oxan-4-yl]acetamide?
The IUPAC name of N-ethyl-2-phenyl-N-[(2R,4S)-2-(3-pyrimidin-5-ylphenyl)oxan-4-yl]acetamide (CID 110130165) is N-ethyl-2-phenyl-N-[(2R,4S)-2-(3-pyrimidin-5-ylphenyl)oxan-4-yl]acetamide.
What is the SMILES notation for N-ethyl-2-phenyl-N-[(2R,4S)-2-(3-pyrimidin-5-ylphenyl)oxan-4-yl]acetamide?
The canonical SMILES for N-ethyl-2-phenyl-N-[(2R,4S)-2-(3-pyrimidin-5-ylphenyl)oxan-4-yl]acetamide is CCN(C(=O)Cc1ccccc1)[C@H]1CCO[C@@H](c2cccc(-c3cncnc3)c2)C1.
What is the InChIKey of N-ethyl-2-phenyl-N-[(2R,4S)-2-(3-pyrimidin-5-ylphenyl)oxan-4-yl]acetamide?
The InChIKey is TTZYRYRAXKBXIH-BJKOFHAPSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-2-28(25(29)13-19-7-4-3-5-8-19)23-11-12-30-24(15-23)21-10-6-9-20(14-21)22-16-26-18-27-17-22/h3-10,14,16-18,23-24H,2,11-13,15H2,1H3/t23-,24+/m0/s1.
What are the key properties of N-ethyl-2-phenyl-N-[(2R,4S)-2-(3-pyrimidin-5-ylphenyl)oxan-4-yl]acetamide?
N-ethyl-2-phenyl-N-[(2R,4S)-2-(3-pyrimidin-5-ylphenyl)oxan-4-yl]acetamide has a molecular weight of 401.51 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-phenyl-N-[(2R,4S)-2-(3-pyrimidin-5-ylphenyl)oxan-4-yl]acetamide is sourced from PubChem (CID 110130165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).