(2R)-2-[[(2R)-2-[[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]propanoyl]amino]propanamide

C19H37N3O9 — CID 118895063

IUPAC(2R)-2-[[(2R)-2-[[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]propanoyl]amino]propanamide
SMILESCOCCOCCOCCOCCOCCOCC(=O)N[C@H](C)C(=O)N[C@H](C)C(N)=O
InChIInChI=1S/C19H37N3O9/c1-15(18(20)24)22-19(25)16(2)21-17(23)14-31-13-12-30-11-10-29-9-8-28-7-6-27-5-4-26-3/h15-16H,4-14H2,1-3H3,(H2,20,24)(H,21,23)(H,22,25)/t15-,16-/m1/s1
InChIKeyGZEBDVAOZBDLTL-HZPDHXFCSA-N
MW451.52 g/mol
LogP-1.79
Rot. Bonds21

About (2R)-2-[[(2R)-2-[[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]propanoyl]amino]propanamide

(2R)-2-[[(2R)-2-[[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]propanoyl]amino]propanamide (PubChem CID 118895063) has the molecular formula C19H37N3O9 and a molecular weight of 451.52 g/mol. Its IUPAC name is (2R)-2-[[(2R)-2-[[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]propanoyl]amino]propanamide.

Molecular Properties

Compound Name(2R)-2-[[(2R)-2-[[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]propanoyl]amino]propanamide
PubChem CID118895063
Molecular FormulaC19H37N3O9
Molecular Weight451.52 g/mol
Exact Mass451.25
IUPAC Name(2R)-2-[[(2R)-2-[[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]propanoyl]amino]propanamide
SMILESCOCCOCCOCCOCCOCCOCC(=O)N[C@H](C)C(=O)N[C@H](C)C(N)=O
InChIInChI=1S/C19H37N3O9/c1-15(18(20)24)22-19(25)16(2)21-17(23)14-31-13-12-30-11-10-29-9-8-28-7-6-27-5-4-26-3/h15-16H,4-14H2,1-3H3,(H2,20,24)(H,21,23)(H,22,25)/t15-,16-/m1/s1
InChIKeyGZEBDVAOZBDLTL-HZPDHXFCSA-N
XLogP-1.79
TPSA156.67 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds21
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.52
LogP ≤ 5-1.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]propanoyl]amino]propanoyl]amino]-4-oxobutanoic acid
CID 134608659
3-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]propanoylamino]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 175290245
N-propan-2-yl-2-[(2-propoxyacetyl)amino]propanamide
CID 107941779
2-[2-(2-methoxyethoxy)ethoxy]-N-methylacetamide
CID 22961397
N-butan-2-yl-2-(2-methoxyethoxy)acetamide
CID 60650985
2-[[2-(2-aminoethoxy)acetyl]amino]-N-methylpropanamide
CID 79478783
2-(2-methoxyethoxy)-N-pentan-2-ylacetamide
CID 103601639
2-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethoxy]acetamide
CID 103767893
2-[2-[2-oxo-2-(propan-2-ylamino)ethoxy]ethoxy]-N-propan-2-ylacetamide
CID 166950643
methyl 3-hydroxy-2-[[2-(2-methoxyethoxy)acetyl]amino]propanoate
CID 43422807
N-(1-hydroxy-3-methylbutan-2-yl)-2-(2-methoxyethoxy)acetamide
CID 79255861
N-[1-oxo-1-(3-oxobutan-2-ylamino)propan-2-yl]-2-[[2-(2-oxopropoxy)acetyl]amino]propanamide
CID 145028362

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2R)-2-[[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]propanoyl]amino]propanamide?
The IUPAC name of (2R)-2-[[(2R)-2-[[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]propanoyl]amino]propanamide (CID 118895063) is (2R)-2-[[(2R)-2-[[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]propanoyl]amino]propanamide.
What is the SMILES notation for (2R)-2-[[(2R)-2-[[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]propanoyl]amino]propanamide?
The canonical SMILES for (2R)-2-[[(2R)-2-[[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]propanoyl]amino]propanamide is COCCOCCOCCOCCOCCOCC(=O)N[C@H](C)C(=O)N[C@H](C)C(N)=O.
What is the InChIKey of (2R)-2-[[(2R)-2-[[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]propanoyl]amino]propanamide?
The InChIKey is GZEBDVAOZBDLTL-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H37N3O9/c1-15(18(20)24)22-19(25)16(2)21-17(23)14-31-13-12-30-11-10-29-9-8-28-7-6-27-5-4-26-3/h15-16H,4-14H2,1-3H3,(H2,20,24)(H,21,23)(H,22,25)/t15-,16-/m1/s1.
What are the key properties of (2R)-2-[[(2R)-2-[[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]propanoyl]amino]propanamide?
(2R)-2-[[(2R)-2-[[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]propanoyl]amino]propanamide has a molecular weight of 451.52 g/mol, XLogP of -1.79, 21 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2R)-2-[[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]propanoyl]amino]propanamide is sourced from PubChem (CID 118895063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).