N-[2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl]-N-[(4-methoxyphenyl)methyl]acetamide

C24H39NO3 — CID 3761760

IUPACN-[2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CN(CCC2(CCC(C)C)CCOC(C)(C)C2)C(C)=O)cc1
InChIInChI=1S/C24H39NO3/c1-19(2)11-12-24(14-16-28-23(4,5)18-24)13-15-25(20(3)26)17-21-7-9-22(27-6)10-8-21/h7-10,19H,11-18H2,1-6H3
InChIKeyUZNPFBXZVWMUPR-UHFFFAOYSA-N
MW389.58 g/mol
LogP5.45
Rot. Bonds9

About N-[2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl]-N-[(4-methoxyphenyl)methyl]acetamide

N-[2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl]-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 3761760) has the molecular formula C24H39NO3 and a molecular weight of 389.58 g/mol. Its IUPAC name is N-[2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl]-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl]-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID3761760
Molecular FormulaC24H39NO3
Molecular Weight389.58 g/mol
Exact Mass389.29
IUPAC NameN-[2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CN(CCC2(CCC(C)C)CCOC(C)(C)C2)C(C)=O)cc1
InChIInChI=1S/C24H39NO3/c1-19(2)11-12-24(14-16-28-23(4,5)18-24)13-15-25(20(3)26)17-21-7-9-22(27-6)10-8-21/h7-10,19H,11-18H2,1-6H3
InChIKeyUZNPFBXZVWMUPR-UHFFFAOYSA-N
XLogP5.45
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.58
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl]-N-[(4-methoxyphenyl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4R)-2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl-[(4-propan-2-yloxyphenyl)methyl]azanium
CID 7088544
N-[2-(2,2-dimethyl-4-propan-2-yloxan-4-yl)ethyl]-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 170327266
N-benzyl-N-[2-[(2S,4S)-2-ethyl-4-(4-methoxyphenyl)-2-methyloxan-4-yl]ethyl]acetamide
CID 1147415
N-(furan-2-ylmethyl)-N-[2-[(4S)-4-(4-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]acetamide
CID 39377991
N-[[4-(dimethylamino)phenyl]methyl]-N-[2-[(4S)-4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]acetamide
CID 1119817
N-[(3S)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-(2-methoxyphenyl)propyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 1119799
N-[[4-(dimethylamino)phenyl]methyl]-N-[(3S)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-(4-methoxyphenyl)propyl]acetamide
CID 1147460
N-[(3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-4-methylpentyl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 7664418
N-[(4-methoxyphenyl)methyl]-N-[4-methyl-3-(4-propan-2-yloxyphenyl)pentyl]acetamide
CID 4256218
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
4-[2-[(4-methoxyphenyl)methylamino]ethyl]-2,2-dimethyloxan-4-ol
CID 3105290
N-benzyl-N-[2-[4-[4-(dimethylamino)phenyl]-2,2-dimethyloxan-4-yl]ethyl]acetamide
CID 23796110

Frequently Asked Questions

What is the IUPAC name of N-[2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl]-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of N-[2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl]-N-[(4-methoxyphenyl)methyl]acetamide (CID 3761760) is N-[2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl]-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for N-[2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl]-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for N-[2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl]-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CN(CCC2(CCC(C)C)CCOC(C)(C)C2)C(C)=O)cc1.
What is the InChIKey of N-[2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl]-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is UZNPFBXZVWMUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39NO3/c1-19(2)11-12-24(14-16-28-23(4,5)18-24)13-15-25(20(3)26)17-21-7-9-22(27-6)10-8-21/h7-10,19H,11-18H2,1-6H3.
What are the key properties of N-[2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl]-N-[(4-methoxyphenyl)methyl]acetamide?
N-[2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl]-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 389.58 g/mol, XLogP of 5.45, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl]-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 3761760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).