N-[(2S,4R,6S)-2-ethyl-6-(2-methylphenyl)oxan-4-yl]benzamide

C21H25NO2 — CID 50957827

IUPACN-[(2S,4R,6S)-2-ethyl-6-(2-methylphenyl)oxan-4-yl]benzamide
SMILESCC[C@H]1C[C@@H](NC(=O)c2ccccc2)C[C@@H](c2ccccc2C)O1
InChIInChI=1S/C21H25NO2/c1-3-18-13-17(22-21(23)16-10-5-4-6-11-16)14-20(24-18)19-12-8-7-9-15(19)2/h4-12,17-18,20H,3,13-14H2,1-2H3,(H,22,23)/t17-,18+,20+/m1/s1
InChIKeyIDRKCGJTHVBENE-HBFSDRIKSA-N
MW323.44 g/mol
LogP4.42
Rot. Bonds4

About N-[(2S,4R,6S)-2-ethyl-6-(2-methylphenyl)oxan-4-yl]benzamide

N-[(2S,4R,6S)-2-ethyl-6-(2-methylphenyl)oxan-4-yl]benzamide (PubChem CID 50957827) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-[(2S,4R,6S)-2-ethyl-6-(2-methylphenyl)oxan-4-yl]benzamide.

Molecular Properties

Compound NameN-[(2S,4R,6S)-2-ethyl-6-(2-methylphenyl)oxan-4-yl]benzamide
PubChem CID50957827
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC NameN-[(2S,4R,6S)-2-ethyl-6-(2-methylphenyl)oxan-4-yl]benzamide
SMILESCC[C@H]1C[C@@H](NC(=O)c2ccccc2)C[C@@H](c2ccccc2C)O1
InChIInChI=1S/C21H25NO2/c1-3-18-13-17(22-21(23)16-10-5-4-6-11-16)14-20(24-18)19-12-8-7-9-15(19)2/h4-12,17-18,20H,3,13-14H2,1-2H3,(H,22,23)/t17-,18+,20+/m1/s1
InChIKeyIDRKCGJTHVBENE-HBFSDRIKSA-N
XLogP4.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S,4R,6S)-2-(3-cyanophenyl)-6-ethyloxan-4-yl]benzamide
CID 50960702
N-[(2S,4R,6S)-2-benzyl-6-(1-methylimidazol-2-yl)oxan-4-yl]benzamide
CID 50961972
N-(3-aminocyclobutyl)benzamide
CID 43594893
N-(2-ethylcyclopropyl)benzamide
CID 103669419
(2S,6R)-4-chloro-2,6-bis(2-methylphenyl)oxane
CID 11033937
N-[(3S)-5,5-dimethyloxolan-3-yl]benzamide
CID 11138618
N-[(2S,6R)-2,6-dibenzyloxan-4-yl]acetamide
CID 50960068
N-[(3S,5R)-5-prop-2-enyloxolan-3-yl]benzamide
CID 14954535
N-[(2S,3R)-2-(iodomethyl)-4,4-dimethyloxolan-3-yl]benzamide
CID 10991985
N-[(2R,4S,6R)-2-ethyl-6-(2-morpholin-4-ylquinolin-3-yl)oxan-4-yl]acetamide
CID 133131593
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride
CID 126477922
N-[(2R,4R,6S)-2-propan-2-yl-6-pyrazolo[1,5-a]pyrimidin-3-yloxan-4-yl]benzamide
CID 50961861

Frequently Asked Questions

What is the IUPAC name of N-[(2S,4R,6S)-2-ethyl-6-(2-methylphenyl)oxan-4-yl]benzamide?
The IUPAC name of N-[(2S,4R,6S)-2-ethyl-6-(2-methylphenyl)oxan-4-yl]benzamide (CID 50957827) is N-[(2S,4R,6S)-2-ethyl-6-(2-methylphenyl)oxan-4-yl]benzamide.
What is the SMILES notation for N-[(2S,4R,6S)-2-ethyl-6-(2-methylphenyl)oxan-4-yl]benzamide?
The canonical SMILES for N-[(2S,4R,6S)-2-ethyl-6-(2-methylphenyl)oxan-4-yl]benzamide is CC[C@H]1C[C@@H](NC(=O)c2ccccc2)C[C@@H](c2ccccc2C)O1.
What is the InChIKey of N-[(2S,4R,6S)-2-ethyl-6-(2-methylphenyl)oxan-4-yl]benzamide?
The InChIKey is IDRKCGJTHVBENE-HBFSDRIKSA-N. The full InChI is InChI=1S/C21H25NO2/c1-3-18-13-17(22-21(23)16-10-5-4-6-11-16)14-20(24-18)19-12-8-7-9-15(19)2/h4-12,17-18,20H,3,13-14H2,1-2H3,(H,22,23)/t17-,18+,20+/m1/s1.
What are the key properties of N-[(2S,4R,6S)-2-ethyl-6-(2-methylphenyl)oxan-4-yl]benzamide?
N-[(2S,4R,6S)-2-ethyl-6-(2-methylphenyl)oxan-4-yl]benzamide has a molecular weight of 323.44 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4R,6S)-2-ethyl-6-(2-methylphenyl)oxan-4-yl]benzamide is sourced from PubChem (CID 50957827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).