N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-2-morpholin-3-ylacetamide

C17H22N4O2 — CID 56909174

IUPACN-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-2-morpholin-3-ylacetamide
SMILESCc1nccn1Cc1ccccc1NC(=O)CC1COCCN1
InChIInChI=1S/C17H22N4O2/c1-13-18-6-8-21(13)11-14-4-2-3-5-16(14)20-17(22)10-15-12-23-9-7-19-15/h2-6,8,15,19H,7,9-12H2,1H3,(H,20,22)
InChIKeySKOMVMFOPYKJNK-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.56
Rot. Bonds5

About N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-2-morpholin-3-ylacetamide

N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-2-morpholin-3-ylacetamide (PubChem CID 56909174) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-2-morpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-2-morpholin-3-ylacetamide
PubChem CID56909174
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-2-morpholin-3-ylacetamide
SMILESCc1nccn1Cc1ccccc1NC(=O)CC1COCCN1
InChIInChI=1S/C17H22N4O2/c1-13-18-6-8-21(13)11-14-4-2-3-5-16(14)20-17(22)10-15-12-23-9-7-19-15/h2-6,8,15,19H,7,9-12H2,1H3,(H,20,22)
InChIKeySKOMVMFOPYKJNK-UHFFFAOYSA-N
XLogP1.56
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]piperidine-2-carboxamide
CID 131930636
N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-[(3S)-morpholin-3-yl]acetamide
CID 95728474
4-methyl-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-2-oxo-6-(oxolan-3-yl)pyran-3-carboxamide
CID 170511216
N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-pyrazol-1-ylbenzamide
CID 131899424
N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide
CID 70786945
N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 131908904
N-(4-chloropyrimidin-2-yl)-2-morpholin-3-ylacetamide
CID 114052312
N-(2-hydroxy-5-methylsulfonylphenyl)-2-morpholin-3-ylacetamide
CID 81422921
N-[2-(morpholin-4-ylmethyl)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941468
1-(1-methylimidazol-2-yl)-3-morpholin-3-ylpropan-2-one
CID 116595774
1-morpholin-3-yl-3-pyridin-2-ylpropan-2-one
CID 116595828
N-(5-bromo-2,4-difluorophenyl)-2-morpholin-3-ylacetamide
CID 102853805

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-2-morpholin-3-ylacetamide?
The IUPAC name of N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-2-morpholin-3-ylacetamide (CID 56909174) is N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-2-morpholin-3-ylacetamide.
What is the SMILES notation for N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-2-morpholin-3-ylacetamide?
The canonical SMILES for N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-2-morpholin-3-ylacetamide is Cc1nccn1Cc1ccccc1NC(=O)CC1COCCN1.
What is the InChIKey of N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-2-morpholin-3-ylacetamide?
The InChIKey is SKOMVMFOPYKJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-13-18-6-8-21(13)11-14-4-2-3-5-16(14)20-17(22)10-15-12-23-9-7-19-15/h2-6,8,15,19H,7,9-12H2,1H3,(H,20,22).
What are the key properties of N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-2-morpholin-3-ylacetamide?
N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-2-morpholin-3-ylacetamide has a molecular weight of 314.39 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-2-morpholin-3-ylacetamide is sourced from PubChem (CID 56909174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).