N-[1-(2,5-dimethylphenyl)ethyl]-2-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]acetamide

C20H32N2O3 — CID 91843262

IUPACN-[1-(2,5-dimethylphenyl)ethyl]-2-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]acetamide
SMILESCc1ccc(C)c(C(C)NC(=O)CN(C)CC2(CO)CCOCC2)c1
InChIInChI=1S/C20H32N2O3/c1-15-5-6-16(2)18(11-15)17(3)21-19(24)12-22(4)13-20(14-23)7-9-25-10-8-20/h5-6,11,17,23H,7-10,12-14H2,1-4H3,(H,21,24)
InChIKeyXFKIIYAIRTUBBK-UHFFFAOYSA-N
MW348.49 g/mol
LogP2.20
Rot. Bonds7

About N-[1-(2,5-dimethylphenyl)ethyl]-2-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]acetamide

N-[1-(2,5-dimethylphenyl)ethyl]-2-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]acetamide (PubChem CID 91843262) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is N-[1-(2,5-dimethylphenyl)ethyl]-2-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylphenyl)ethyl]-2-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]acetamide
PubChem CID91843262
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC NameN-[1-(2,5-dimethylphenyl)ethyl]-2-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]acetamide
SMILESCc1ccc(C)c(C(C)NC(=O)CN(C)CC2(CO)CCOCC2)c1
InChIInChI=1S/C20H32N2O3/c1-15-5-6-16(2)18(11-15)17(3)21-19(24)12-22(4)13-20(14-23)7-9-25-10-8-20/h5-6,11,17,23H,7-10,12-14H2,1-4H3,(H,21,24)
InChIKeyXFKIIYAIRTUBBK-UHFFFAOYSA-N
XLogP2.20
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-(2,5-dimethylphenyl)ethyl]-2-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]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

N-[1-(2,5-dimethylphenyl)ethyl]-2-[methyl(pyrazin-2-ylmethyl)amino]acetamide
CID 135102058
4-[[1-(2,5-dimethylphenyl)ethylamino]methyl]oxan-4-ol
CID 81131119
3-chloro-N-[1-(2,5-dimethylphenyl)ethyl]propanamide
CID 17327223
2-[benzyl(methylsulfonyl)amino]-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]acetamide
CID 100526389
N-[1-(2,5-dimethylphenyl)ethyl]-3-phenylpropanamide
CID 17327195
2-[methyl-[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl]amino]acetic acid
CID 43442483
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(4-methylphenyl)propanamide
CID 93239788
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[1-(2,5-dimethylphenyl)ethyl]acetamide
CID 43891906
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-[N-(dimethylsulfamoyl)-4-fluoroanilino]acetamide
CID 92663731
2-(4-bromophenyl)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide
CID 841018
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 32564607
2-(2,5-dimethylphenoxy)-N-[1-(2,5-dimethylphenyl)ethyl]acetamide
CID 17327488

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]-2-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]acetamide?
The IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]-2-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]acetamide (CID 91843262) is N-[1-(2,5-dimethylphenyl)ethyl]-2-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]acetamide.
What is the SMILES notation for N-[1-(2,5-dimethylphenyl)ethyl]-2-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]acetamide?
The canonical SMILES for N-[1-(2,5-dimethylphenyl)ethyl]-2-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]acetamide is Cc1ccc(C)c(C(C)NC(=O)CN(C)CC2(CO)CCOCC2)c1.
What is the InChIKey of N-[1-(2,5-dimethylphenyl)ethyl]-2-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]acetamide?
The InChIKey is XFKIIYAIRTUBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-15-5-6-16(2)18(11-15)17(3)21-19(24)12-22(4)13-20(14-23)7-9-25-10-8-20/h5-6,11,17,23H,7-10,12-14H2,1-4H3,(H,21,24).
What are the key properties of N-[1-(2,5-dimethylphenyl)ethyl]-2-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]acetamide?
N-[1-(2,5-dimethylphenyl)ethyl]-2-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]acetamide has a molecular weight of 348.49 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylphenyl)ethyl]-2-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]acetamide is sourced from PubChem (CID 91843262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).