3-methyl-N-[2-[4-[(5-methyl-1H-imidazol-4-yl)methyl]morpholin-2-yl]ethyl]but-2-enamide

C16H26N4O2 — CID 56722687

IUPAC3-methyl-N-[2-[4-[(5-methyl-1H-imidazol-4-yl)methyl]morpholin-2-yl]ethyl]but-2-enamide
SMILESCC(C)=CC(=O)NCCC1CN(Cc2nc[nH]c2C)CCO1
InChIInChI=1S/C16H26N4O2/c1-12(2)8-16(21)17-5-4-14-9-20(6-7-22-14)10-15-13(3)18-11-19-15/h8,11,14H,4-7,9-10H2,1-3H3,(H,17,21)(H,18,19)
InChIKeyJBFROFVRMJKVAE-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.39
Rot. Bonds6

About 3-methyl-N-[2-[4-[(5-methyl-1H-imidazol-4-yl)methyl]morpholin-2-yl]ethyl]but-2-enamide

3-methyl-N-[2-[4-[(5-methyl-1H-imidazol-4-yl)methyl]morpholin-2-yl]ethyl]but-2-enamide (PubChem CID 56722687) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 3-methyl-N-[2-[4-[(5-methyl-1H-imidazol-4-yl)methyl]morpholin-2-yl]ethyl]but-2-enamide.

Molecular Properties

Compound Name3-methyl-N-[2-[4-[(5-methyl-1H-imidazol-4-yl)methyl]morpholin-2-yl]ethyl]but-2-enamide
PubChem CID56722687
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name3-methyl-N-[2-[4-[(5-methyl-1H-imidazol-4-yl)methyl]morpholin-2-yl]ethyl]but-2-enamide
SMILESCC(C)=CC(=O)NCCC1CN(Cc2nc[nH]c2C)CCO1
InChIInChI=1S/C16H26N4O2/c1-12(2)8-16(21)17-5-4-14-9-20(6-7-22-14)10-15-13(3)18-11-19-15/h8,11,14H,4-7,9-10H2,1-3H3,(H,17,21)(H,18,19)
InChIKeyJBFROFVRMJKVAE-UHFFFAOYSA-N
XLogP1.39
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-(2,6-dimethylmorpholine-4-carbonyl)-N-(3-methylbutyl)-1H-imidazole-5-carboxamide
CID 46264405
N-[2-(4-isobutylmorpholin-2-yl)ethyl]-4-methyl-1H-imidazole-5-carboxamide
CID 56718202
N-isopropyl-N'-(2-{4-[(2-methyl-1H-imidazol-4-yl)methyl]morpholin-2-yl}ethyl)urea
CID 56753238
8-(2-methoxyethyl)-4-[(5-methyl-1H-imidazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 134079073
4-methoxy-1-[(5-methyl-1H-imidazol-4-yl)methyl]-2,3-dihydropyridin-6-one
CID 15712522
2-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-morpholin-4-ylpropan-1-amine
CID 55114588
1-methyl-4-({4-[(4-methyl-1H-imidazol-5-yl)methyl]-3-morpholinyl}acetyl)-1,4-diazepane
CID 56889387
4-methyl-N-{2-[4-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-2-morpholinyl]ethyl}-1H-imidazole-5-carboxamide
CID 56891619
1-(2-methoxyethyl)-5-[(5-methyl-1H-imidazol-4-yl)methylamino]pyridin-2-one
CID 62743398
2-methoxy-1-[4-[(5-methyl-1H-imidazol-4-yl)methylamino]piperidin-1-yl]ethanone
CID 62743402
N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-morpholin-4-ylethanamine
CID 62747083
N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 62748321

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-[4-[(5-methyl-1H-imidazol-4-yl)methyl]morpholin-2-yl]ethyl]but-2-enamide?
The IUPAC name of 3-methyl-N-[2-[4-[(5-methyl-1H-imidazol-4-yl)methyl]morpholin-2-yl]ethyl]but-2-enamide (CID 56722687) is 3-methyl-N-[2-[4-[(5-methyl-1H-imidazol-4-yl)methyl]morpholin-2-yl]ethyl]but-2-enamide.
What is the SMILES notation for 3-methyl-N-[2-[4-[(5-methyl-1H-imidazol-4-yl)methyl]morpholin-2-yl]ethyl]but-2-enamide?
The canonical SMILES for 3-methyl-N-[2-[4-[(5-methyl-1H-imidazol-4-yl)methyl]morpholin-2-yl]ethyl]but-2-enamide is CC(C)=CC(=O)NCCC1CN(Cc2nc[nH]c2C)CCO1.
What is the InChIKey of 3-methyl-N-[2-[4-[(5-methyl-1H-imidazol-4-yl)methyl]morpholin-2-yl]ethyl]but-2-enamide?
The InChIKey is JBFROFVRMJKVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-12(2)8-16(21)17-5-4-14-9-20(6-7-22-14)10-15-13(3)18-11-19-15/h8,11,14H,4-7,9-10H2,1-3H3,(H,17,21)(H,18,19).
What are the key properties of 3-methyl-N-[2-[4-[(5-methyl-1H-imidazol-4-yl)methyl]morpholin-2-yl]ethyl]but-2-enamide?
3-methyl-N-[2-[4-[(5-methyl-1H-imidazol-4-yl)methyl]morpholin-2-yl]ethyl]but-2-enamide has a molecular weight of 306.41 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-[4-[(5-methyl-1H-imidazol-4-yl)methyl]morpholin-2-yl]ethyl]but-2-enamide is sourced from PubChem (CID 56722687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).