N-[[1-[2-(morpholine-4-carbonyl)phenyl]imidazol-4-yl]methyl]acetamide

C17H20N4O3 — CID 110121883

IUPACN-[[1-[2-(morpholine-4-carbonyl)phenyl]imidazol-4-yl]methyl]acetamide
SMILESCC(=O)NCc1cn(-c2ccccc2C(=O)N2CCOCC2)cn1
InChIInChI=1S/C17H20N4O3/c1-13(22)18-10-14-11-21(12-19-14)16-5-3-2-4-15(16)17(23)20-6-8-24-9-7-20/h2-5,11-12H,6-10H2,1H3,(H,18,22)
InChIKeyUOYVMWGJAVOKHG-UHFFFAOYSA-N
MW328.37 g/mol
LogP0.98
Rot. Bonds4

About N-[[1-[2-(morpholine-4-carbonyl)phenyl]imidazol-4-yl]methyl]acetamide

N-[[1-[2-(morpholine-4-carbonyl)phenyl]imidazol-4-yl]methyl]acetamide (PubChem CID 110121883) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-[[1-[2-(morpholine-4-carbonyl)phenyl]imidazol-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[2-(morpholine-4-carbonyl)phenyl]imidazol-4-yl]methyl]acetamide
PubChem CID110121883
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC NameN-[[1-[2-(morpholine-4-carbonyl)phenyl]imidazol-4-yl]methyl]acetamide
SMILESCC(=O)NCc1cn(-c2ccccc2C(=O)N2CCOCC2)cn1
InChIInChI=1S/C17H20N4O3/c1-13(22)18-10-14-11-21(12-19-14)16-5-3-2-4-15(16)17(23)20-6-8-24-9-7-20/h2-5,11-12H,6-10H2,1H3,(H,18,22)
InChIKeyUOYVMWGJAVOKHG-UHFFFAOYSA-N
XLogP0.98
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(acetamidomethyl)imidazol-1-yl]-N-(1-methylpiperidin-4-yl)benzamide
CID 110121958
2-[4-[[(1-methylpyrazole-4-carbonyl)amino]methyl]imidazol-1-yl]benzoic acid
CID 110098584
2-[4-[[(1-methylpyrazole-3-carbonyl)amino]methyl]imidazol-1-yl]benzoic acid
CID 110098582
4-(acetamidomethyl)-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]benzamide
CID 136578771
2-[4-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]imidazol-1-yl]benzoic acid
CID 155983264
2-[4-[(dimethylamino)methyl]imidazol-1-yl]-N-(pyridin-2-ylmethyl)benzamide
CID 110121857
1-[2-methyl-3-(morpholine-4-carbonyl)phenyl]-3-(2-pyridin-2-ylethyl)urea
CID 60569503
2-[2-(morpholine-4-carbonyl)phenyl]isoindole-1,3-dione
CID 4933006
(4-methyl-1,4-benzothiazin-2-yl)-morpholin-4-ylmethanone
CID 20920679
1-ethyl-3-[1-[2-(morpholine-4-carbonyl)phenyl]piperidin-4-yl]urea
CID 46038614
N-[[6-[(2S)-1-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124974894
ethyl 2-(1,4,7-trioxa-10-azacyclododecane-10-carbonyl)benzoate
CID 15945097

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(morpholine-4-carbonyl)phenyl]imidazol-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-[2-(morpholine-4-carbonyl)phenyl]imidazol-4-yl]methyl]acetamide (CID 110121883) is N-[[1-[2-(morpholine-4-carbonyl)phenyl]imidazol-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-[2-(morpholine-4-carbonyl)phenyl]imidazol-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-[2-(morpholine-4-carbonyl)phenyl]imidazol-4-yl]methyl]acetamide is CC(=O)NCc1cn(-c2ccccc2C(=O)N2CCOCC2)cn1.
What is the InChIKey of N-[[1-[2-(morpholine-4-carbonyl)phenyl]imidazol-4-yl]methyl]acetamide?
The InChIKey is UOYVMWGJAVOKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-13(22)18-10-14-11-21(12-19-14)16-5-3-2-4-15(16)17(23)20-6-8-24-9-7-20/h2-5,11-12H,6-10H2,1H3,(H,18,22).
What are the key properties of N-[[1-[2-(morpholine-4-carbonyl)phenyl]imidazol-4-yl]methyl]acetamide?
N-[[1-[2-(morpholine-4-carbonyl)phenyl]imidazol-4-yl]methyl]acetamide has a molecular weight of 328.37 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(morpholine-4-carbonyl)phenyl]imidazol-4-yl]methyl]acetamide is sourced from PubChem (CID 110121883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).