N-(2-acetamidoethyl)-2-(dimethylamino)acetamide;ethane

C10H23N3O2 — CID 143571910

IUPACN-(2-acetamidoethyl)-2-(dimethylamino)acetamide;ethane
SMILESCC.CC(=O)NCCNC(=O)CN(C)C
InChIInChI=1S/C8H17N3O2.C2H6/c1-7(12)9-4-5-10-8(13)6-11(2)3;1-2/h4-6H2,1-3H3,(H,9,12)(H,10,13);1-2H3
InChIKeyISBHNNLADGHRGL-UHFFFAOYSA-N
MW217.31 g/mol
LogP-0.17
Rot. Bonds5

About N-(2-acetamidoethyl)-2-(dimethylamino)acetamide;ethane

N-(2-acetamidoethyl)-2-(dimethylamino)acetamide;ethane (PubChem CID 143571910) has the molecular formula C10H23N3O2 and a molecular weight of 217.31 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-2-(dimethylamino)acetamide;ethane.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-2-(dimethylamino)acetamide;ethane
PubChem CID143571910
Molecular FormulaC10H23N3O2
Molecular Weight217.31 g/mol
Exact Mass217.18
IUPAC NameN-(2-acetamidoethyl)-2-(dimethylamino)acetamide;ethane
SMILESCC.CC(=O)NCCNC(=O)CN(C)C
InChIInChI=1S/C8H17N3O2.C2H6/c1-7(12)9-4-5-10-8(13)6-11(2)3;1-2/h4-6H2,1-3H3,(H,9,12)(H,10,13);1-2H3
InChIKeyISBHNNLADGHRGL-UHFFFAOYSA-N
XLogP-0.17
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(dimethylamino)-N-(3-oxopropyl)acetamide
CID 87106405
N-(2-acetamidoethyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide
CID 30758753
2-(dimethylamino)-N-octadecylacetamide;ethane
CID 90860669
bis(carbon dioxide);2-(dimethylamino)-N-(3-oxopropyl)acetamide
CID 158308072
N-[2-(dimethylamino)ethyl]acetamide;ethane;molecular hydrogen
CID 156646595
N-(2-acetamidoethyl)-3-[[3-(2-acetamidoethylamino)-3-oxopropyl]-(2-sulfanylethyl)amino]propanamide
CID 58991254
2-(dimethylamino)-N-(18-hydroxyoctadecyl)acetamide
CID 163653558
2-(dimethylamino)-N-(8-hydroxyoctyl)acetamide
CID 154671930
N-(2-acetamidoethyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide
CID 113237459
N-(aminomethyl)-2-(dimethylamino)acetamide
CID 170647333
4-[[2-(dimethylamino)acetyl]amino]-N,N-dimethylbutanamide
CID 166186517
N-[2-[bis(2-acetamidoethyl)amino]ethyl]acetamide
CID 14382083

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-2-(dimethylamino)acetamide;ethane?
The IUPAC name of N-(2-acetamidoethyl)-2-(dimethylamino)acetamide;ethane (CID 143571910) is N-(2-acetamidoethyl)-2-(dimethylamino)acetamide;ethane.
What is the SMILES notation for N-(2-acetamidoethyl)-2-(dimethylamino)acetamide;ethane?
The canonical SMILES for N-(2-acetamidoethyl)-2-(dimethylamino)acetamide;ethane is CC.CC(=O)NCCNC(=O)CN(C)C.
What is the InChIKey of N-(2-acetamidoethyl)-2-(dimethylamino)acetamide;ethane?
The InChIKey is ISBHNNLADGHRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2.C2H6/c1-7(12)9-4-5-10-8(13)6-11(2)3;1-2/h4-6H2,1-3H3,(H,9,12)(H,10,13);1-2H3.
What are the key properties of N-(2-acetamidoethyl)-2-(dimethylamino)acetamide;ethane?
N-(2-acetamidoethyl)-2-(dimethylamino)acetamide;ethane has a molecular weight of 217.31 g/mol, XLogP of -0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-2-(dimethylamino)acetamide;ethane is sourced from PubChem (CID 143571910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).