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

C23H34N4O3 — CID 42819529

IUPAC2-methoxy-N-(2-morpholin-4-ylethyl)-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]acetamide
SMILESCOCC(=O)N(CCN1CCOCC1)Cc1nccn1Cc1c(C)cc(C)cc1C
InChIInChI=1S/C23H34N4O3/c1-18-13-19(2)21(20(3)14-18)15-26-6-5-24-22(26)16-27(23(28)17-29-4)8-7-25-9-11-30-12-10-25/h5-6,13-14H,7-12,15-17H2,1-4H3
InChIKeyCTGRYXZMUKUDRY-UHFFFAOYSA-N
MW414.55 g/mol
LogP2.16
Rot. Bonds9

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

2-methoxy-N-(2-morpholin-4-ylethyl)-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]acetamide (PubChem CID 42819529) has the molecular formula C23H34N4O3 and a molecular weight of 414.55 g/mol. Its IUPAC name is 2-methoxy-N-(2-morpholin-4-ylethyl)-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-(2-morpholin-4-ylethyl)-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]acetamide
PubChem CID42819529
Molecular FormulaC23H34N4O3
Molecular Weight414.55 g/mol
Exact Mass414.26
IUPAC Name2-methoxy-N-(2-morpholin-4-ylethyl)-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]acetamide
SMILESCOCC(=O)N(CCN1CCOCC1)Cc1nccn1Cc1c(C)cc(C)cc1C
InChIInChI=1S/C23H34N4O3/c1-18-13-19(2)21(20(3)14-18)15-26-6-5-24-22(26)16-27(23(28)17-29-4)8-7-25-9-11-30-12-10-25/h5-6,13-14H,7-12,15-17H2,1-4H3
InChIKeyCTGRYXZMUKUDRY-UHFFFAOYSA-N
XLogP2.16
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-[(4-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)acetamide
CID 42819993
N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)propanamide
CID 42819335
N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-2-methyl-N-(2-morpholin-4-ylethyl)propanamide
CID 42819288
4-methyl-N-[[1-[(4-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42819996
3-methoxy-N-[[1-[(4-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42819998
1-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]-1-(2-morpholin-4-ylethyl)-3-propan-2-ylurea
CID 42819953
1-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-3-ethyl-1-(2-morpholin-4-ylethyl)urea
CID 42819641
N-[[1-[(3-fluorophenyl)methyl]imidazol-2-yl]methyl]-3-methyl-N-(2-morpholin-4-ylethyl)butanamide
CID 42819476
N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)cyclopropanecarboxamide
CID 42819430
N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
CID 42819426
3-methyl-N-(2-morpholin-4-ylethyl)-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]butanamide
CID 83280017
4-methyl-N-(2-morpholin-4-ylethyl)-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide
CID 42819882

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(2-morpholin-4-ylethyl)-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]acetamide?
The IUPAC name of 2-methoxy-N-(2-morpholin-4-ylethyl)-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]acetamide (CID 42819529) is 2-methoxy-N-(2-morpholin-4-ylethyl)-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]acetamide.
What is the SMILES notation for 2-methoxy-N-(2-morpholin-4-ylethyl)-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]acetamide?
The canonical SMILES for 2-methoxy-N-(2-morpholin-4-ylethyl)-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]acetamide is COCC(=O)N(CCN1CCOCC1)Cc1nccn1Cc1c(C)cc(C)cc1C.
What is the InChIKey of 2-methoxy-N-(2-morpholin-4-ylethyl)-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]acetamide?
The InChIKey is CTGRYXZMUKUDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O3/c1-18-13-19(2)21(20(3)14-18)15-26-6-5-24-22(26)16-27(23(28)17-29-4)8-7-25-9-11-30-12-10-25/h5-6,13-14H,7-12,15-17H2,1-4H3.
What are the key properties of 2-methoxy-N-(2-morpholin-4-ylethyl)-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]acetamide?
2-methoxy-N-(2-morpholin-4-ylethyl)-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]acetamide has a molecular weight of 414.55 g/mol, XLogP of 2.16, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(2-morpholin-4-ylethyl)-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]acetamide is sourced from PubChem (CID 42819529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).