3-(dimethylamino)-N-[2-(methylamino)-2-oxoethyl]propanamide

C8H17N3O2 — CID 155820491

IUPAC3-(dimethylamino)-N-[2-(methylamino)-2-oxoethyl]propanamide
SMILESCNC(=O)CNC(=O)CCN(C)C
InChIInChI=1S/C8H17N3O2/c1-9-8(13)6-10-7(12)4-5-11(2)3/h4-6H2,1-3H3,(H,9,13)(H,10,12)
InChIKeyIFVSAOLYQOFFHS-UHFFFAOYSA-N
MW187.24 g/mol
LogP-1.20
Rot. Bonds5

About 3-(dimethylamino)-N-[2-(methylamino)-2-oxoethyl]propanamide

3-(dimethylamino)-N-[2-(methylamino)-2-oxoethyl]propanamide (PubChem CID 155820491) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[2-(methylamino)-2-oxoethyl]propanamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[2-(methylamino)-2-oxoethyl]propanamide
PubChem CID155820491
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC Name3-(dimethylamino)-N-[2-(methylamino)-2-oxoethyl]propanamide
SMILESCNC(=O)CNC(=O)CCN(C)C
InChIInChI=1S/C8H17N3O2/c1-9-8(13)6-10-7(12)4-5-11(2)3/h4-6H2,1-3H3,(H,9,13)(H,10,12)
InChIKeyIFVSAOLYQOFFHS-UHFFFAOYSA-N
XLogP-1.20
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-1.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[2-(methylamino)-2-oxoethyl]propanamide?
The IUPAC name of 3-(dimethylamino)-N-[2-(methylamino)-2-oxoethyl]propanamide (CID 155820491) is 3-(dimethylamino)-N-[2-(methylamino)-2-oxoethyl]propanamide.
What is the SMILES notation for 3-(dimethylamino)-N-[2-(methylamino)-2-oxoethyl]propanamide?
The canonical SMILES for 3-(dimethylamino)-N-[2-(methylamino)-2-oxoethyl]propanamide is CNC(=O)CNC(=O)CCN(C)C.
What is the InChIKey of 3-(dimethylamino)-N-[2-(methylamino)-2-oxoethyl]propanamide?
The InChIKey is IFVSAOLYQOFFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c1-9-8(13)6-10-7(12)4-5-11(2)3/h4-6H2,1-3H3,(H,9,13)(H,10,12).
What are the key properties of 3-(dimethylamino)-N-[2-(methylamino)-2-oxoethyl]propanamide?
3-(dimethylamino)-N-[2-(methylamino)-2-oxoethyl]propanamide has a molecular weight of 187.24 g/mol, XLogP of -1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[2-(methylamino)-2-oxoethyl]propanamide is sourced from PubChem (CID 155820491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).