N-(2-morpholin-4-ylethyl)-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]acetamide

C22H32N4O2 — CID 42819525

IUPACN-(2-morpholin-4-ylethyl)-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]acetamide
SMILESCC(=O)N(CCN1CCOCC1)Cc1nccn1Cc1c(C)cc(C)cc1C
InChIInChI=1S/C22H32N4O2/c1-17-13-18(2)21(19(3)14-17)15-26-6-5-23-22(26)16-25(20(4)27)8-7-24-9-11-28-12-10-24/h5-6,13-14H,7-12,15-16H2,1-4H3
InChIKeyRNXCCATYATVRAE-UHFFFAOYSA-N
MW384.52 g/mol
LogP2.54
Rot. Bonds7

About N-(2-morpholin-4-ylethyl)-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]acetamide

N-(2-morpholin-4-ylethyl)-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]acetamide (PubChem CID 42819525) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]acetamide
PubChem CID42819525
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC NameN-(2-morpholin-4-ylethyl)-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]acetamide
SMILESCC(=O)N(CCN1CCOCC1)Cc1nccn1Cc1c(C)cc(C)cc1C
InChIInChI=1S/C22H32N4O2/c1-17-13-18(2)21(19(3)14-17)15-26-6-5-23-22(26)16-25(20(4)27)8-7-24-9-11-28-12-10-24/h5-6,13-14H,7-12,15-16H2,1-4H3
InChIKeyRNXCCATYATVRAE-UHFFFAOYSA-N
XLogP2.54
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]acetamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]acetamide (CID 42819525) is N-(2-morpholin-4-ylethyl)-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]acetamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]acetamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]acetamide is CC(=O)N(CCN1CCOCC1)Cc1nccn1Cc1c(C)cc(C)cc1C.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]acetamide?
The InChIKey is RNXCCATYATVRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2/c1-17-13-18(2)21(19(3)14-17)15-26-6-5-23-22(26)16-25(20(4)27)8-7-24-9-11-28-12-10-24/h5-6,13-14H,7-12,15-16H2,1-4H3.
What are the key properties of N-(2-morpholin-4-ylethyl)-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]acetamide?
N-(2-morpholin-4-ylethyl)-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]acetamide has a molecular weight of 384.52 g/mol, XLogP of 2.54, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]acetamide is sourced from PubChem (CID 42819525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).