2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(oxolan-2-ylmethyl)acetamide

C16H30N4O3 — CID 60500146

IUPAC2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(oxolan-2-ylmethyl)acetamide
SMILESCN(C)C(=O)CN1CCCN(CC(=O)NCC2CCCO2)CC1
InChIInChI=1S/C16H30N4O3/c1-18(2)16(22)13-20-7-4-6-19(8-9-20)12-15(21)17-11-14-5-3-10-23-14/h14H,3-13H2,1-2H3,(H,17,21)
InChIKeyQBODPWVRHNJLQH-UHFFFAOYSA-N
MW326.44 g/mol
LogP-0.62
Rot. Bonds6

About 2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(oxolan-2-ylmethyl)acetamide

2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 60500146) has the molecular formula C16H30N4O3 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID60500146
Molecular FormulaC16H30N4O3
Molecular Weight326.44 g/mol
Exact Mass326.23
IUPAC Name2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(oxolan-2-ylmethyl)acetamide
SMILESCN(C)C(=O)CN1CCCN(CC(=O)NCC2CCCO2)CC1
InChIInChI=1S/C16H30N4O3/c1-18(2)16(22)13-20-7-4-6-19(8-9-20)12-15(21)17-11-14-5-3-10-23-14/h14H,3-13H2,1-2H3,(H,17,21)
InChIKeyQBODPWVRHNJLQH-UHFFFAOYSA-N
XLogP-0.62
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-hydroxypiperidin-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 27070171
2-[(3S)-3-hydroxypiperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 107225746
N-(oxolan-2-ylmethyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide
CID 60504183
2-[(3R)-3-aminopyrrolidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 129381630
2-(4-formylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 62655740
N-(oxolan-2-ylmethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]acetamide
CID 163344737
2-[4-(difluoromethyl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 166601670
(1S,5R)-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 122556344
2-(3-amino-4-methylpyrrolidin-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 103576526
2-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 124756613
N-[[(2R)-oxolan-2-yl]methyl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 7437120
N,N-dimethyl-2-[[[[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]amino]-(oxolan-2-ylmethylamino)methylidene]amino]acetamide;hydroiodide
CID 110039682

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(oxolan-2-ylmethyl)acetamide (CID 60500146) is 2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(oxolan-2-ylmethyl)acetamide is CN(C)C(=O)CN1CCCN(CC(=O)NCC2CCCO2)CC1.
What is the InChIKey of 2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is QBODPWVRHNJLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O3/c1-18(2)16(22)13-20-7-4-6-19(8-9-20)12-15(21)17-11-14-5-3-10-23-14/h14H,3-13H2,1-2H3,(H,17,21).
What are the key properties of 2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 326.44 g/mol, XLogP of -0.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 60500146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).