N-benzyl-N-[2-[(4S)-2,2-dimethyl-4-(4-methylphenyl)oxan-4-yl]ethyl]propanamide

C26H35NO2 — CID 35045613

IUPACN-benzyl-N-[2-[(4S)-2,2-dimethyl-4-(4-methylphenyl)oxan-4-yl]ethyl]propanamide
SMILESCCC(=O)N(CC[C@]1(c2ccc(C)cc2)CCOC(C)(C)C1)Cc1ccccc1
InChIInChI=1S/C26H35NO2/c1-5-24(28)27(19-22-9-7-6-8-10-22)17-15-26(16-18-29-25(3,4)20-26)23-13-11-21(2)12-14-23/h6-14H,5,15-20H2,1-4H3/t26-/m0/s1
InChIKeyZBCGKASJFUFLGS-SANMLTNESA-N
MW393.57 g/mol
LogP5.65
Rot. Bonds7

About N-benzyl-N-[2-[(4S)-2,2-dimethyl-4-(4-methylphenyl)oxan-4-yl]ethyl]propanamide

N-benzyl-N-[2-[(4S)-2,2-dimethyl-4-(4-methylphenyl)oxan-4-yl]ethyl]propanamide (PubChem CID 35045613) has the molecular formula C26H35NO2 and a molecular weight of 393.57 g/mol. Its IUPAC name is N-benzyl-N-[2-[(4S)-2,2-dimethyl-4-(4-methylphenyl)oxan-4-yl]ethyl]propanamide.

Molecular Properties

Compound NameN-benzyl-N-[2-[(4S)-2,2-dimethyl-4-(4-methylphenyl)oxan-4-yl]ethyl]propanamide
PubChem CID35045613
Molecular FormulaC26H35NO2
Molecular Weight393.57 g/mol
Exact Mass393.27
IUPAC NameN-benzyl-N-[2-[(4S)-2,2-dimethyl-4-(4-methylphenyl)oxan-4-yl]ethyl]propanamide
SMILESCCC(=O)N(CC[C@]1(c2ccc(C)cc2)CCOC(C)(C)C1)Cc1ccccc1
InChIInChI=1S/C26H35NO2/c1-5-24(28)27(19-22-9-7-6-8-10-22)17-15-26(16-18-29-25(3,4)20-26)23-13-11-21(2)12-14-23/h6-14H,5,15-20H2,1-4H3/t26-/m0/s1
InChIKeyZBCGKASJFUFLGS-SANMLTNESA-N
XLogP5.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.57
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-[2-[4-[4-(dimethylamino)phenyl]-2,2-dimethyloxan-4-yl]ethyl]acetamide
CID 23796110
N-benzyl-N-[2-(2,2-dimethyl-4-propan-2-yloxan-4-yl)ethyl]propanamide
CID 3471275
N-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-N-[2-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]propanamide
CID 7079370
1-[N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]anilino]butan-2-one
CID 23853063
N-benzyl-N-[2-[(2S,4S)-2-ethyl-4-(4-methoxyphenyl)-2-methyloxan-4-yl]ethyl]acetamide
CID 1147415
2-[2,2-dimethyl-4-(4-methylphenyl)oxan-4-yl]acetic acid
CID 2877791
N-benzyl-N-[2-[(4S)-4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]furan-2-carboxamide
CID 40815429
4-[4-[[2,2-dimethylpropanoyl-[2-[(4R)-4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]amino]methyl]phenoxy]cyclohexane-1-carboxylic acid
CID 176886368
N-[[4-(dimethylamino)phenyl]methyl]-N-[2-[(4S)-4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]acetamide
CID 1119817
N-[(2-fluorophenyl)methyl]-N-[2-[(2R,4R)-4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethyl]propanamide
CID 7463562
(1S)-N-[2-[(4S)-2,2-dimethyl-4-(4-methylphenyl)oxan-4-yl]ethyl]-1-phenylethanamine
CID 1341544
ethyl 4-[4-[[2,2-dimethylpropanoyl-[2-[2,2-dimethyl-4-(4-pyrrolidin-1-ylphenyl)oxan-4-yl]ethyl]amino]methyl]phenoxy]cyclohexane-1-carboxylate
CID 176886394

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-[(4S)-2,2-dimethyl-4-(4-methylphenyl)oxan-4-yl]ethyl]propanamide?
The IUPAC name of N-benzyl-N-[2-[(4S)-2,2-dimethyl-4-(4-methylphenyl)oxan-4-yl]ethyl]propanamide (CID 35045613) is N-benzyl-N-[2-[(4S)-2,2-dimethyl-4-(4-methylphenyl)oxan-4-yl]ethyl]propanamide.
What is the SMILES notation for N-benzyl-N-[2-[(4S)-2,2-dimethyl-4-(4-methylphenyl)oxan-4-yl]ethyl]propanamide?
The canonical SMILES for N-benzyl-N-[2-[(4S)-2,2-dimethyl-4-(4-methylphenyl)oxan-4-yl]ethyl]propanamide is CCC(=O)N(CC[C@]1(c2ccc(C)cc2)CCOC(C)(C)C1)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-[2-[(4S)-2,2-dimethyl-4-(4-methylphenyl)oxan-4-yl]ethyl]propanamide?
The InChIKey is ZBCGKASJFUFLGS-SANMLTNESA-N. The full InChI is InChI=1S/C26H35NO2/c1-5-24(28)27(19-22-9-7-6-8-10-22)17-15-26(16-18-29-25(3,4)20-26)23-13-11-21(2)12-14-23/h6-14H,5,15-20H2,1-4H3/t26-/m0/s1.
What are the key properties of N-benzyl-N-[2-[(4S)-2,2-dimethyl-4-(4-methylphenyl)oxan-4-yl]ethyl]propanamide?
N-benzyl-N-[2-[(4S)-2,2-dimethyl-4-(4-methylphenyl)oxan-4-yl]ethyl]propanamide has a molecular weight of 393.57 g/mol, XLogP of 5.65, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-[(4S)-2,2-dimethyl-4-(4-methylphenyl)oxan-4-yl]ethyl]propanamide is sourced from PubChem (CID 35045613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).