N-(2-methoxyethyl)-2-[[2-(2-methoxyethylamino)-2-oxoethyl]-pentan-3-ylamino]acetamide

C15H31N3O4 — CID 55640369

IUPACN-(2-methoxyethyl)-2-[[2-(2-methoxyethylamino)-2-oxoethyl]-pentan-3-ylamino]acetamide
SMILESCCC(CC)N(CC(=O)NCCOC)CC(=O)NCCOC
InChIInChI=1S/C15H31N3O4/c1-5-13(6-2)18(11-14(19)16-7-9-21-3)12-15(20)17-8-10-22-4/h13H,5-12H2,1-4H3,(H,16,19)(H,17,20)
InChIKeyMSFAWMWBUHDZQS-UHFFFAOYSA-N
MW317.43 g/mol
LogP0.00
Rot. Bonds13

About N-(2-methoxyethyl)-2-[[2-(2-methoxyethylamino)-2-oxoethyl]-pentan-3-ylamino]acetamide

N-(2-methoxyethyl)-2-[[2-(2-methoxyethylamino)-2-oxoethyl]-pentan-3-ylamino]acetamide (PubChem CID 55640369) has the molecular formula C15H31N3O4 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[[2-(2-methoxyethylamino)-2-oxoethyl]-pentan-3-ylamino]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[[2-(2-methoxyethylamino)-2-oxoethyl]-pentan-3-ylamino]acetamide
PubChem CID55640369
Molecular FormulaC15H31N3O4
Molecular Weight317.43 g/mol
Exact Mass317.23
IUPAC NameN-(2-methoxyethyl)-2-[[2-(2-methoxyethylamino)-2-oxoethyl]-pentan-3-ylamino]acetamide
SMILESCCC(CC)N(CC(=O)NCCOC)CC(=O)NCCOC
InChIInChI=1S/C15H31N3O4/c1-5-13(6-2)18(11-14(19)16-7-9-21-3)12-15(20)17-8-10-22-4/h13H,5-12H2,1-4H3,(H,16,19)(H,17,20)
InChIKeyMSFAWMWBUHDZQS-UHFFFAOYSA-N
XLogP0.00
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-aminoethyl(pentan-3-yl)amino]-N-(2-methoxyethyl)acetamide
CID 63763709
2-[1-hydroxypropan-2-yl(methyl)amino]-N-(2-methoxyethyl)acetamide
CID 115877350
2-[3-aminopropyl(propan-2-yl)amino]-N-(2-methoxyethyl)acetamide
CID 61487571
2-[2-hydroxyethyl(pentan-3-yl)amino]-N-propylacetamide
CID 62016057
2-[ethylcarbamoyl(methyl)amino]-N-(2-methoxyethyl)acetamide
CID 47128037
2-[(2-amino-3-methoxypropyl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 63760314
N-(2-methoxyethyl)-2-[methyl(3-oxopentan-2-yl)amino]acetamide
CID 64866282
2-[butyl(methyl)amino]-N-(2-methoxyethyl)acetamide
CID 108994026
2-[acetyl(propyl)amino]-N-(2-methoxyethyl)acetamide
CID 113157913
N-(2-methoxyethyl)-2-[methyl(3-oxobutan-2-yl)amino]acetamide
CID 60680902
2-hydroxy-N-(2-methoxyethyl)acetamide
CID 19987818
ethane;N-(2-methoxyethyl)propanamide;molecular hydrogen
CID 145484894

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[[2-(2-methoxyethylamino)-2-oxoethyl]-pentan-3-ylamino]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[[2-(2-methoxyethylamino)-2-oxoethyl]-pentan-3-ylamino]acetamide (CID 55640369) is N-(2-methoxyethyl)-2-[[2-(2-methoxyethylamino)-2-oxoethyl]-pentan-3-ylamino]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[[2-(2-methoxyethylamino)-2-oxoethyl]-pentan-3-ylamino]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[[2-(2-methoxyethylamino)-2-oxoethyl]-pentan-3-ylamino]acetamide is CCC(CC)N(CC(=O)NCCOC)CC(=O)NCCOC.
What is the InChIKey of N-(2-methoxyethyl)-2-[[2-(2-methoxyethylamino)-2-oxoethyl]-pentan-3-ylamino]acetamide?
The InChIKey is MSFAWMWBUHDZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O4/c1-5-13(6-2)18(11-14(19)16-7-9-21-3)12-15(20)17-8-10-22-4/h13H,5-12H2,1-4H3,(H,16,19)(H,17,20).
What are the key properties of N-(2-methoxyethyl)-2-[[2-(2-methoxyethylamino)-2-oxoethyl]-pentan-3-ylamino]acetamide?
N-(2-methoxyethyl)-2-[[2-(2-methoxyethylamino)-2-oxoethyl]-pentan-3-ylamino]acetamide has a molecular weight of 317.43 g/mol, XLogP of 0.00, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[[2-(2-methoxyethylamino)-2-oxoethyl]-pentan-3-ylamino]acetamide is sourced from PubChem (CID 55640369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).