N-(3-ethenoxypropyl)-2-(methylamino)acetamide

C8H16N2O2 — CID 61274455

IUPACN-(3-ethenoxypropyl)-2-(methylamino)acetamide
SMILESC=COCCCNC(=O)CNC
InChIInChI=1S/C8H16N2O2/c1-3-12-6-4-5-10-8(11)7-9-2/h3,9H,1,4-7H2,2H3,(H,10,11)
InChIKeyUWDXGLVAJVCKCW-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.13
Rot. Bonds7

About N-(3-ethenoxypropyl)-2-(methylamino)acetamide

N-(3-ethenoxypropyl)-2-(methylamino)acetamide (PubChem CID 61274455) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is N-(3-ethenoxypropyl)-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-(3-ethenoxypropyl)-2-(methylamino)acetamide
PubChem CID61274455
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC NameN-(3-ethenoxypropyl)-2-(methylamino)acetamide
SMILESC=COCCCNC(=O)CNC
InChIInChI=1S/C8H16N2O2/c1-3-12-6-4-5-10-8(11)7-9-2/h3,9H,1,4-7H2,2H3,(H,10,11)
InChIKeyUWDXGLVAJVCKCW-UHFFFAOYSA-N
XLogP-0.13
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(methylamino)-N-[3-[2-[2-[3-[[2-(methylamino)acetyl]amino]propoxy]ethoxy]ethoxy]propyl]acetamide
CID 89399442
2-(methylamino)-N-[4-[[2-(methylamino)acetyl]amino]butyl]acetamide
CID 177413313
2-(cyclopentylamino)-N-(3-ethenoxypropyl)acetamide
CID 61273703
5-(3-ethenoxypropylamino)-3,3-dimethyl-5-oxopentanoic acid
CID 62932848
2,2,2-trichloro-N-(3-ethenoxypropyl)acetamide
CID 87995485
5-(3-ethenoxypropylamino)-3-methyl-5-oxopentanoic acid
CID 62964547
(2R)-2-amino-N-(3-ethenoxypropyl)propanamide
CID 78973332
1-(3-ethenoxypropyl)-3-propan-2-ylurea
CID 59741503
3-chloro-N-(3-ethenoxypropyl)-2-methylpropanamide
CID 62726850
2-(methylamino)-N-[3-(2-methylpropoxy)propyl]acetamide;hydrochloride
CID 119693610
N-(4-hydroxybutyl)-2-(methylamino)acetamide
CID 106841932
N-(3-hydroxypropyl)-2-(methylamino)acetamide;hydrochloride
CID 56832092

Frequently Asked Questions

What is the IUPAC name of N-(3-ethenoxypropyl)-2-(methylamino)acetamide?
The IUPAC name of N-(3-ethenoxypropyl)-2-(methylamino)acetamide (CID 61274455) is N-(3-ethenoxypropyl)-2-(methylamino)acetamide.
What is the SMILES notation for N-(3-ethenoxypropyl)-2-(methylamino)acetamide?
The canonical SMILES for N-(3-ethenoxypropyl)-2-(methylamino)acetamide is C=COCCCNC(=O)CNC.
What is the InChIKey of N-(3-ethenoxypropyl)-2-(methylamino)acetamide?
The InChIKey is UWDXGLVAJVCKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-3-12-6-4-5-10-8(11)7-9-2/h3,9H,1,4-7H2,2H3,(H,10,11).
What are the key properties of N-(3-ethenoxypropyl)-2-(methylamino)acetamide?
N-(3-ethenoxypropyl)-2-(methylamino)acetamide has a molecular weight of 172.23 g/mol, XLogP of -0.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethenoxypropyl)-2-(methylamino)acetamide is sourced from PubChem (CID 61274455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).