N-benzyl-N-[2-[4-[4-(dimethylamino)phenyl]-2,2-dimethyloxan-4-yl]ethyl]acetamide

C26H36N2O2 — CID 23796110

IUPACN-benzyl-N-[2-[4-[4-(dimethylamino)phenyl]-2,2-dimethyloxan-4-yl]ethyl]acetamide
SMILESCC(=O)N(CCC1(c2ccc(N(C)C)cc2)CCOC(C)(C)C1)Cc1ccccc1
InChIInChI=1S/C26H36N2O2/c1-21(29)28(19-22-9-7-6-8-10-22)17-15-26(16-18-30-25(2,3)20-26)23-11-13-24(14-12-23)27(4)5/h6-14H,15-20H2,1-5H3
InChIKeyDYUXCNFXJONWNK-UHFFFAOYSA-N
MW408.59 g/mol
LogP5.02
Rot. Bonds7

About N-benzyl-N-[2-[4-[4-(dimethylamino)phenyl]-2,2-dimethyloxan-4-yl]ethyl]acetamide

N-benzyl-N-[2-[4-[4-(dimethylamino)phenyl]-2,2-dimethyloxan-4-yl]ethyl]acetamide (PubChem CID 23796110) has the molecular formula C26H36N2O2 and a molecular weight of 408.59 g/mol. Its IUPAC name is N-benzyl-N-[2-[4-[4-(dimethylamino)phenyl]-2,2-dimethyloxan-4-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-[2-[4-[4-(dimethylamino)phenyl]-2,2-dimethyloxan-4-yl]ethyl]acetamide
PubChem CID23796110
Molecular FormulaC26H36N2O2
Molecular Weight408.59 g/mol
Exact Mass408.28
IUPAC NameN-benzyl-N-[2-[4-[4-(dimethylamino)phenyl]-2,2-dimethyloxan-4-yl]ethyl]acetamide
SMILESCC(=O)N(CCC1(c2ccc(N(C)C)cc2)CCOC(C)(C)C1)Cc1ccccc1
InChIInChI=1S/C26H36N2O2/c1-21(29)28(19-22-9-7-6-8-10-22)17-15-26(16-18-30-25(2,3)20-26)23-11-13-24(14-12-23)27(4)5/h6-14H,15-20H2,1-5H3
InChIKeyDYUXCNFXJONWNK-UHFFFAOYSA-N
XLogP5.02
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.59
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-N-[2-[(4S)-4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]acetamide
CID 1119817
N-benzyl-N-[2-[(4S)-2,2-dimethyl-4-(4-methylphenyl)oxan-4-yl]ethyl]propanamide
CID 35045613
N-benzyl-N-[2-[(2S,4S)-2-ethyl-4-(4-methoxyphenyl)-2-methyloxan-4-yl]ethyl]acetamide
CID 1147415
N-benzyl-N-[2-[(4S)-4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]furan-2-carboxamide
CID 40815429
1-[N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]anilino]butan-2-one
CID 23853063
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
N-[2-[acetyl(benzyl)amino]ethyl]-N-benzylacetamide
CID 562449
4-[2-(dimethylsulfamoylamino)ethyl]-2,2-dimethyl-4-phenyloxane
CID 131909737
1-amino-N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]cyclopropane-1-carboxamide
CID 56861115
2-[2,2-dimethyl-4-(4-methylphenyl)oxan-4-yl]acetic acid
CID 2877791
N-[2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 3761760

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-[4-[4-(dimethylamino)phenyl]-2,2-dimethyloxan-4-yl]ethyl]acetamide?
The IUPAC name of N-benzyl-N-[2-[4-[4-(dimethylamino)phenyl]-2,2-dimethyloxan-4-yl]ethyl]acetamide (CID 23796110) is N-benzyl-N-[2-[4-[4-(dimethylamino)phenyl]-2,2-dimethyloxan-4-yl]ethyl]acetamide.
What is the SMILES notation for N-benzyl-N-[2-[4-[4-(dimethylamino)phenyl]-2,2-dimethyloxan-4-yl]ethyl]acetamide?
The canonical SMILES for N-benzyl-N-[2-[4-[4-(dimethylamino)phenyl]-2,2-dimethyloxan-4-yl]ethyl]acetamide is CC(=O)N(CCC1(c2ccc(N(C)C)cc2)CCOC(C)(C)C1)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-[2-[4-[4-(dimethylamino)phenyl]-2,2-dimethyloxan-4-yl]ethyl]acetamide?
The InChIKey is DYUXCNFXJONWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O2/c1-21(29)28(19-22-9-7-6-8-10-22)17-15-26(16-18-30-25(2,3)20-26)23-11-13-24(14-12-23)27(4)5/h6-14H,15-20H2,1-5H3.
What are the key properties of N-benzyl-N-[2-[4-[4-(dimethylamino)phenyl]-2,2-dimethyloxan-4-yl]ethyl]acetamide?
N-benzyl-N-[2-[4-[4-(dimethylamino)phenyl]-2,2-dimethyloxan-4-yl]ethyl]acetamide has a molecular weight of 408.59 g/mol, XLogP of 5.02, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-[4-[4-(dimethylamino)phenyl]-2,2-dimethyloxan-4-yl]ethyl]acetamide is sourced from PubChem (CID 23796110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).