[2-methyl-4-[(1-propylimidazol-2-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone

C17H28N4O3 — CID 127247751

IUPAC[2-methyl-4-[(1-propylimidazol-2-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone
SMILESCCCn1ccnc1CN1CCOC(C)(C(=O)N2CCOCC2)C1
InChIInChI=1S/C17H28N4O3/c1-3-5-20-6-4-18-15(20)13-19-7-12-24-17(2,14-19)16(22)21-8-10-23-11-9-21/h4,6H,3,5,7-14H2,1-2H3
InChIKeySGZOTHKINFAEDG-UHFFFAOYSA-N
MW336.44 g/mol
LogP0.74
Rot. Bonds5

About [2-methyl-4-[(1-propylimidazol-2-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone

[2-methyl-4-[(1-propylimidazol-2-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone (PubChem CID 127247751) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is [2-methyl-4-[(1-propylimidazol-2-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-methyl-4-[(1-propylimidazol-2-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone
PubChem CID127247751
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name[2-methyl-4-[(1-propylimidazol-2-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone
SMILESCCCn1ccnc1CN1CCOC(C)(C(=O)N2CCOCC2)C1
InChIInChI=1S/C17H28N4O3/c1-3-5-20-6-4-18-15(20)13-19-7-12-24-17(2,14-19)16(22)21-8-10-23-11-9-21/h4,6H,3,5,7-14H2,1-2H3
InChIKeySGZOTHKINFAEDG-UHFFFAOYSA-N
XLogP0.74
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-methyl-4-[(1-propylimidazol-2-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

(2S)-N,N,2-trimethyl-4-[(1-propylimidazol-2-yl)methyl]morpholine-2-carboxamide
CID 124948546
[4-(1H-imidazol-2-ylmethyl)-2-methylmorpholin-2-yl]-morpholin-4-ylmethanone
CID 110268350
[2-methyl-4-(1,3-thiazol-2-ylmethyl)morpholin-2-yl]-morpholin-4-ylmethanone
CID 175652668
[2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone
CID 118740266
[2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone
CID 110271141
[2-methyl-4-[(6-methyl-2-pyridinyl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone
CID 118740287
[2-methyl-4-(thiophen-3-ylmethyl)morpholin-2-yl]-morpholin-4-ylmethanone
CID 110268314
ethyl 5-[2-(morpholin-4-ylmethyl)imidazol-1-yl]pentanoate
CID 167876752
[(2R)-4-[(4-hydroxyoxan-4-yl)methyl]-2-methylmorpholin-2-yl]-morpholin-4-ylmethanone
CID 124998464
3-[2-(morpholin-4-ylmethyl)imidazol-1-yl]propan-1-ol
CID 91503690
2-methyl-3-morpholin-4-yl-N-[(1-propylimidazol-2-yl)methyl]propanamide
CID 122570107
2-[1-(2-morpholin-4-ylethyl)imidazol-2-yl]acetic acid
CID 69289077

Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-[(1-propylimidazol-2-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-methyl-4-[(1-propylimidazol-2-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone (CID 127247751) is [2-methyl-4-[(1-propylimidazol-2-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-methyl-4-[(1-propylimidazol-2-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-methyl-4-[(1-propylimidazol-2-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone is CCCn1ccnc1CN1CCOC(C)(C(=O)N2CCOCC2)C1.
What is the InChIKey of [2-methyl-4-[(1-propylimidazol-2-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is SGZOTHKINFAEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-3-5-20-6-4-18-15(20)13-19-7-12-24-17(2,14-19)16(22)21-8-10-23-11-9-21/h4,6H,3,5,7-14H2,1-2H3.
What are the key properties of [2-methyl-4-[(1-propylimidazol-2-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone?
[2-methyl-4-[(1-propylimidazol-2-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 336.44 g/mol, XLogP of 0.74, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-[(1-propylimidazol-2-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 127247751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).