N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]ethyl]acetamide

C10H20N2O3 — CID 106658128

IUPACN-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]ethyl]acetamide
SMILESCC(=O)NCCNC1COC(C)(C)OC1
InChIInChI=1S/C10H20N2O3/c1-8(13)11-4-5-12-9-6-14-10(2,3)15-7-9/h9,12H,4-7H2,1-3H3,(H,11,13)
InChIKeyHFJCQMDSVBVPTL-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.14
Rot. Bonds4

About N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]ethyl]acetamide

N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]ethyl]acetamide (PubChem CID 106658128) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]ethyl]acetamide
PubChem CID106658128
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC NameN-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]ethyl]acetamide
SMILESCC(=O)NCCNC1COC(C)(C)OC1
InChIInChI=1S/C10H20N2O3/c1-8(13)11-4-5-12-9-6-14-10(2,3)15-7-9/h9,12H,4-7H2,1-3H3,(H,11,13)
InChIKeyHFJCQMDSVBVPTL-UHFFFAOYSA-N
XLogP-0.14
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]ethyl]-2-methylpropanamide
CID 106658087
3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]propanoic acid
CID 106658180
N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]ethyl]-4-methylbenzamide
CID 106658655
3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-N-methylpropanamide
CID 106658723
N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]ethyl]methanesulfonamide
CID 106658151
2,2-dimethyl-N-(2-thiomorpholin-4-ylethyl)-1,3-dioxan-5-amine
CID 114173755
3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 106658991
N-[2-[(3-hydroxycyclobutyl)amino]ethyl]acetamide
CID 107529605
N-[2-(cyclononylamino)ethyl]acetamide
CID 154969023
2,2-dimethyl-N-(3-methylsulfinylpropyl)-1,3-dioxan-5-amine
CID 106659028
N-(2,2-dimethyl-1,3-dioxan-5-yl)-N',N'-dimethylpropane-1,3-diamine
CID 106658058
N-(2-cyclopentylethyl)-2,2-dimethyl-1,3-dioxan-5-amine
CID 106658581

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]ethyl]acetamide?
The IUPAC name of N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]ethyl]acetamide (CID 106658128) is N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]ethyl]acetamide?
The canonical SMILES for N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]ethyl]acetamide is CC(=O)NCCNC1COC(C)(C)OC1.
What is the InChIKey of N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]ethyl]acetamide?
The InChIKey is HFJCQMDSVBVPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-8(13)11-4-5-12-9-6-14-10(2,3)15-7-9/h9,12H,4-7H2,1-3H3,(H,11,13).
What are the key properties of N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]ethyl]acetamide?
N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]ethyl]acetamide has a molecular weight of 216.28 g/mol, XLogP of -0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]ethyl]acetamide is sourced from PubChem (CID 106658128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).