N-(2-methoxyethyl)-3-[[3-oxo-3-(propan-2-ylamino)propyl]amino]propanamide

C12H25N3O3 — CID 113410009

IUPACN-(2-methoxyethyl)-3-[[3-oxo-3-(propan-2-ylamino)propyl]amino]propanamide
SMILESCOCCNC(=O)CCNCCC(=O)NC(C)C
InChIInChI=1S/C12H25N3O3/c1-10(2)15-12(17)5-7-13-6-4-11(16)14-8-9-18-3/h10,13H,4-9H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyXXTVIZRJJWXTOA-UHFFFAOYSA-N
MW259.35 g/mol
LogP-0.36
Rot. Bonds10

About N-(2-methoxyethyl)-3-[[3-oxo-3-(propan-2-ylamino)propyl]amino]propanamide

N-(2-methoxyethyl)-3-[[3-oxo-3-(propan-2-ylamino)propyl]amino]propanamide (PubChem CID 113410009) has the molecular formula C12H25N3O3 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[[3-oxo-3-(propan-2-ylamino)propyl]amino]propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[[3-oxo-3-(propan-2-ylamino)propyl]amino]propanamide
PubChem CID113410009
Molecular FormulaC12H25N3O3
Molecular Weight259.35 g/mol
Exact Mass259.19
IUPAC NameN-(2-methoxyethyl)-3-[[3-oxo-3-(propan-2-ylamino)propyl]amino]propanamide
SMILESCOCCNC(=O)CCNCCC(=O)NC(C)C
InChIInChI=1S/C12H25N3O3/c1-10(2)15-12(17)5-7-13-6-4-11(16)14-8-9-18-3/h10,13H,4-9H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyXXTVIZRJJWXTOA-UHFFFAOYSA-N
XLogP-0.36
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 5-0.36
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-[[N-(2-methoxyethyl)-N'-methylcarbamimidoyl]amino]-N-propan-2-ylpropanamide
CID 110942502
2-methoxy-N-[3-(2-methoxyethylamino)-3-oxopropyl]propanamide
CID 112686354
N-(2-methoxyethyl)-3-(methylamino)propanamide
CID 43827811
2-[[4-(2-methoxyethylamino)-4-oxobutanoyl]amino]-3-methylbutanoic acid
CID 82043220
N,N'-bis(2-methoxyethyl)hexanediamide
CID 2933923
2-amino-3-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]propanoic acid
CID 103263247
N-(2-methoxyethyl)-3-(4-methylsulfanylbutylamino)propanamide
CID 103088362
N-[3-(2-methoxyethylamino)-3-oxopropyl]butanamide
CID 115590611
N-[2-[2-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethoxy]ethoxy]ethyl]-N'-propan-2-ylpentanediamide
CID 170207685
2-amino-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-methylbutanamide
CID 112700885
N-(2-methoxyethyl)-3-(3-sulfanylpropanoylamino)propanamide
CID 107034705
N-(3-methoxypropyl)-3-(propylamino)propanamide
CID 109011484

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-[[3-oxo-3-(propan-2-ylamino)propyl]amino]propanamide?
The IUPAC name of N-(2-methoxyethyl)-3-[[3-oxo-3-(propan-2-ylamino)propyl]amino]propanamide (CID 113410009) is N-(2-methoxyethyl)-3-[[3-oxo-3-(propan-2-ylamino)propyl]amino]propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-[[3-oxo-3-(propan-2-ylamino)propyl]amino]propanamide?
The canonical SMILES for N-(2-methoxyethyl)-3-[[3-oxo-3-(propan-2-ylamino)propyl]amino]propanamide is COCCNC(=O)CCNCCC(=O)NC(C)C.
What is the InChIKey of N-(2-methoxyethyl)-3-[[3-oxo-3-(propan-2-ylamino)propyl]amino]propanamide?
The InChIKey is XXTVIZRJJWXTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3/c1-10(2)15-12(17)5-7-13-6-4-11(16)14-8-9-18-3/h10,13H,4-9H2,1-3H3,(H,14,16)(H,15,17).
What are the key properties of N-(2-methoxyethyl)-3-[[3-oxo-3-(propan-2-ylamino)propyl]amino]propanamide?
N-(2-methoxyethyl)-3-[[3-oxo-3-(propan-2-ylamino)propyl]amino]propanamide has a molecular weight of 259.35 g/mol, XLogP of -0.36, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[[3-oxo-3-(propan-2-ylamino)propyl]amino]propanamide is sourced from PubChem (CID 113410009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).