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

C23H34N4O2 — CID 42819527

IUPACN-(2-morpholin-4-ylethyl)-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]propanamide
SMILESCCC(=O)N(CCN1CCOCC1)Cc1nccn1Cc1c(C)cc(C)cc1C
InChIInChI=1S/C23H34N4O2/c1-5-23(28)27(9-8-25-10-12-29-13-11-25)17-22-24-6-7-26(22)16-21-19(3)14-18(2)15-20(21)4/h6-7,14-15H,5,8-13,16-17H2,1-4H3
InChIKeyBHTQLTZQMMSNGW-UHFFFAOYSA-N
MW398.55 g/mol
LogP2.93
Rot. Bonds8

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

N-(2-morpholin-4-ylethyl)-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]propanamide (PubChem CID 42819527) has the molecular formula C23H34N4O2 and a molecular weight of 398.55 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]propanamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]propanamide
PubChem CID42819527
Molecular FormulaC23H34N4O2
Molecular Weight398.55 g/mol
Exact Mass398.27
IUPAC NameN-(2-morpholin-4-ylethyl)-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]propanamide
SMILESCCC(=O)N(CCN1CCOCC1)Cc1nccn1Cc1c(C)cc(C)cc1C
InChIInChI=1S/C23H34N4O2/c1-5-23(28)27(9-8-25-10-12-29-13-11-25)17-22-24-6-7-26(22)16-21-19(3)14-18(2)15-20(21)4/h6-7,14-15H,5,8-13,16-17H2,1-4H3
InChIKeyBHTQLTZQMMSNGW-UHFFFAOYSA-N
XLogP2.93
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 52.93
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]propanamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]propanamide (CID 42819527) is N-(2-morpholin-4-ylethyl)-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]propanamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]propanamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]propanamide is CCC(=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]propanamide?
The InChIKey is BHTQLTZQMMSNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O2/c1-5-23(28)27(9-8-25-10-12-29-13-11-25)17-22-24-6-7-26(22)16-21-19(3)14-18(2)15-20(21)4/h6-7,14-15H,5,8-13,16-17H2,1-4H3.
What are the key properties of N-(2-morpholin-4-ylethyl)-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]propanamide?
N-(2-morpholin-4-ylethyl)-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]propanamide has a molecular weight of 398.55 g/mol, XLogP of 2.93, 8 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]propanamide is sourced from PubChem (CID 42819527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).