2-[3-[2-(2-aminoethoxy)ethoxy]propanoylamino]-N-[1-(2-formamidoethylamino)-1-oxopropan-2-yl]propanamide;ethane

C20H43N5O6 — CID 176965805

IUPAC2-[3-[2-(2-aminoethoxy)ethoxy]propanoylamino]-N-[1-(2-formamidoethylamino)-1-oxopropan-2-yl]propanamide;ethane
SMILESCC.CC.CC(NC(=O)CCOCCOCCN)C(=O)NC(C)C(=O)NCCNC=O
InChIInChI=1S/C16H31N5O6.2C2H6/c1-12(15(24)19-6-5-18-11-22)21-16(25)13(2)20-14(23)3-7-26-9-10-27-8-4-17;2*1-2/h11-13H,3-10,17H2,1-2H3,(H,18,22)(H,19,24)(H,20,23)(H,21,25);2*1-2H3
InChIKeyBDUXARKKZWBOBD-UHFFFAOYSA-N
MW449.59 g/mol
LogP-0.71
Rot. Bonds16

About 2-[3-[2-(2-aminoethoxy)ethoxy]propanoylamino]-N-[1-(2-formamidoethylamino)-1-oxopropan-2-yl]propanamide;ethane

2-[3-[2-(2-aminoethoxy)ethoxy]propanoylamino]-N-[1-(2-formamidoethylamino)-1-oxopropan-2-yl]propanamide;ethane (PubChem CID 176965805) has the molecular formula C20H43N5O6 and a molecular weight of 449.59 g/mol. Its IUPAC name is 2-[3-[2-(2-aminoethoxy)ethoxy]propanoylamino]-N-[1-(2-formamidoethylamino)-1-oxopropan-2-yl]propanamide;ethane.

Molecular Properties

Compound Name2-[3-[2-(2-aminoethoxy)ethoxy]propanoylamino]-N-[1-(2-formamidoethylamino)-1-oxopropan-2-yl]propanamide;ethane
PubChem CID176965805
Molecular FormulaC20H43N5O6
Molecular Weight449.59 g/mol
Exact Mass449.32
IUPAC Name2-[3-[2-(2-aminoethoxy)ethoxy]propanoylamino]-N-[1-(2-formamidoethylamino)-1-oxopropan-2-yl]propanamide;ethane
SMILESCC.CC.CC(NC(=O)CCOCCOCCN)C(=O)NC(C)C(=O)NCCNC=O
InChIInChI=1S/C16H31N5O6.2C2H6/c1-12(15(24)19-6-5-18-11-22)21-16(25)13(2)20-14(23)3-7-26-9-10-27-8-4-17;2*1-2/h11-13H,3-10,17H2,1-2H3,(H,18,22)(H,19,24)(H,20,23)(H,21,25);2*1-2H3
InChIKeyBDUXARKKZWBOBD-UHFFFAOYSA-N
XLogP-0.71
TPSA160.88 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.59
LogP ≤ 5-0.71
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[3-[2-(2-aminoethoxy)ethoxy]propanoylamino]propanoic acid
CID 156877122
3-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-propan-2-ylpropanamide
CID 177120957
3-[2-[3-(2-ethoxyethoxy)propanoylamino]propanoylamino]propanoic acid
CID 175998278
2-[[2-(2-aminoethoxy)acetyl]amino]-N-methylpropanamide
CID 79478783
3-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-butylpropanamide
CID 171850519
2-[[(2S)-2-[[(2S)-2-(4-aminobutanoylamino)propanoyl]amino]propanoyl]amino]acetic acid
CID 71424311
3-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-propylpropanamide
CID 176761961
2-[2-(2-formamidoethoxy)ethoxy]-N-(5-oxopentan-2-yl)acetamide
CID 174360770
tert-butyl (2S)-2-[[(2S)-2-(6-oxohexanoylamino)propanoyl]amino]propanoate
CID 130342884
N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]ethoxy]ethyl]formamide
CID 156794668
3-[3-(2-aminoethoxy)propanoylamino]-N-(2-methylpropyl)propanamide
CID 112739075
2-[[(2S)-2-[[(2S)-2-(6-aminohexanoylamino)propanoyl]amino]propanoyl]amino]acetic acid
CID 71424310

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(2-aminoethoxy)ethoxy]propanoylamino]-N-[1-(2-formamidoethylamino)-1-oxopropan-2-yl]propanamide;ethane?
The IUPAC name of 2-[3-[2-(2-aminoethoxy)ethoxy]propanoylamino]-N-[1-(2-formamidoethylamino)-1-oxopropan-2-yl]propanamide;ethane (CID 176965805) is 2-[3-[2-(2-aminoethoxy)ethoxy]propanoylamino]-N-[1-(2-formamidoethylamino)-1-oxopropan-2-yl]propanamide;ethane.
What is the SMILES notation for 2-[3-[2-(2-aminoethoxy)ethoxy]propanoylamino]-N-[1-(2-formamidoethylamino)-1-oxopropan-2-yl]propanamide;ethane?
The canonical SMILES for 2-[3-[2-(2-aminoethoxy)ethoxy]propanoylamino]-N-[1-(2-formamidoethylamino)-1-oxopropan-2-yl]propanamide;ethane is CC.CC.CC(NC(=O)CCOCCOCCN)C(=O)NC(C)C(=O)NCCNC=O.
What is the InChIKey of 2-[3-[2-(2-aminoethoxy)ethoxy]propanoylamino]-N-[1-(2-formamidoethylamino)-1-oxopropan-2-yl]propanamide;ethane?
The InChIKey is BDUXARKKZWBOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N5O6.2C2H6/c1-12(15(24)19-6-5-18-11-22)21-16(25)13(2)20-14(23)3-7-26-9-10-27-8-4-17;2*1-2/h11-13H,3-10,17H2,1-2H3,(H,18,22)(H,19,24)(H,20,23)(H,21,25);2*1-2H3.
What are the key properties of 2-[3-[2-(2-aminoethoxy)ethoxy]propanoylamino]-N-[1-(2-formamidoethylamino)-1-oxopropan-2-yl]propanamide;ethane?
2-[3-[2-(2-aminoethoxy)ethoxy]propanoylamino]-N-[1-(2-formamidoethylamino)-1-oxopropan-2-yl]propanamide;ethane has a molecular weight of 449.59 g/mol, XLogP of -0.71, 16 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(2-aminoethoxy)ethoxy]propanoylamino]-N-[1-(2-formamidoethylamino)-1-oxopropan-2-yl]propanamide;ethane is sourced from PubChem (CID 176965805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).