3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]propanamide

C8H17N3O3 — CID 115733671

IUPAC3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]propanamide
SMILESCOCCNC(=O)CNC(=O)CCN
InChIInChI=1S/C8H17N3O3/c1-14-5-4-10-8(13)6-11-7(12)2-3-9/h2-6,9H2,1H3,(H,10,13)(H,11,12)
InChIKeyIKEBJNJVPGUGDI-UHFFFAOYSA-N
MW203.24 g/mol
LogP-1.79
Rot. Bonds7

About 3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]propanamide

3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]propanamide (PubChem CID 115733671) has the molecular formula C8H17N3O3 and a molecular weight of 203.24 g/mol. Its IUPAC name is 3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]propanamide
PubChem CID115733671
Molecular FormulaC8H17N3O3
Molecular Weight203.24 g/mol
Exact Mass203.13
IUPAC Name3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]propanamide
SMILESCOCCNC(=O)CNC(=O)CCN
InChIInChI=1S/C8H17N3O3/c1-14-5-4-10-8(13)6-11-7(12)2-3-9/h2-6,9H2,1H3,(H,10,13)(H,11,12)
InChIKeyIKEBJNJVPGUGDI-UHFFFAOYSA-N
XLogP-1.79
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-1.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(3-methoxypropyl)propanamide;hydrochloride
CID 56832126
5-hydroxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]pentanamide
CID 112549769
N,N'-bis(2-methoxyethyl)hexanediamide
CID 2933923
3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]butanamide
CID 115738068
3-amino-N-[2-(2-hydroxyethoxy)ethyl]propanamide
CID 61274475
2-(aminomethyl)-2-ethyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]butanamide
CID 112703692
3-methoxy-N-[2-[2-[2-(3-methoxypropanoylamino)ethoxy]ethoxy]ethyl]propanamide
CID 166969109
5-methoxy-N-(2-methoxyethyl)pentanamide
CID 58281484
N-(2-methoxyethyl)-3-(methylamino)propanamide
CID 43827811
2-amino-N-[2-[3-(2-methoxyethoxy)propylamino]-2-oxoethyl]acetamide
CID 61274452
3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-4,4-dimethylpentanamide
CID 113405165
N-[3-(2-methoxyethylamino)-3-oxopropyl]butanamide
CID 115590611

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]propanamide?
The IUPAC name of 3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]propanamide (CID 115733671) is 3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]propanamide.
What is the SMILES notation for 3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]propanamide?
The canonical SMILES for 3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]propanamide is COCCNC(=O)CNC(=O)CCN.
What is the InChIKey of 3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]propanamide?
The InChIKey is IKEBJNJVPGUGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O3/c1-14-5-4-10-8(13)6-11-7(12)2-3-9/h2-6,9H2,1H3,(H,10,13)(H,11,12).
What are the key properties of 3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]propanamide?
3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]propanamide has a molecular weight of 203.24 g/mol, XLogP of -1.79, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]propanamide is sourced from PubChem (CID 115733671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).