N-[2-[[2-[[2-[2-[2-[2-[butyl(ethoxy)phosphanyl]oxyethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-6-[(3S)-3-methoxypyrrolidin-1-yl]-6-oxohexanamide;ethane

C31H60N5O10P — CID 156850296

IUPACN-[2-[[2-[[2-[2-[2-[2-[butyl(ethoxy)phosphanyl]oxyethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-6-[(3S)-3-methoxypyrrolidin-1-yl]-6-oxohexanamide;ethane
SMILESCC.CCCCP(OCC)OCCOCCOCCNC(=O)CNC(=O)CNC(=O)CNC(=O)CCCCC(=O)N1CC[C@H](OC)C1
InChIInChI=1S/C29H54N5O10P.C2H6/c1-4-6-19-45(43-5-2)44-18-17-42-16-15-41-14-12-30-26(36)20-32-28(38)22-33-27(37)21-31-25(35)9-7-8-10-29(39)34-13-11-24(23-34)40-3;1-2/h24H,4-23H2,1-3H3,(H,30,36)(H,31,35)(H,32,38)(H,33,37);1-2H3/t24-,45?;/m0./s1
InChIKeyQLSLNEBZFYBXJG-XCMWIHPFSA-N
MW693.82 g/mol
LogP1.48
Rot. Bonds27

About N-[2-[[2-[[2-[2-[2-[2-[butyl(ethoxy)phosphanyl]oxyethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-6-[(3S)-3-methoxypyrrolidin-1-yl]-6-oxohexanamide;ethane

N-[2-[[2-[[2-[2-[2-[2-[butyl(ethoxy)phosphanyl]oxyethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-6-[(3S)-3-methoxypyrrolidin-1-yl]-6-oxohexanamide;ethane (PubChem CID 156850296) has the molecular formula C31H60N5O10P and a molecular weight of 693.82 g/mol. Its IUPAC name is N-[2-[[2-[[2-[2-[2-[2-[butyl(ethoxy)phosphanyl]oxyethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-6-[(3S)-3-methoxypyrrolidin-1-yl]-6-oxohexanamide;ethane.

Molecular Properties

Compound NameN-[2-[[2-[[2-[2-[2-[2-[butyl(ethoxy)phosphanyl]oxyethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-6-[(3S)-3-methoxypyrrolidin-1-yl]-6-oxohexanamide;ethane
PubChem CID156850296
Molecular FormulaC31H60N5O10P
Molecular Weight693.82 g/mol
Exact Mass693.41
IUPAC NameN-[2-[[2-[[2-[2-[2-[2-[butyl(ethoxy)phosphanyl]oxyethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-6-[(3S)-3-methoxypyrrolidin-1-yl]-6-oxohexanamide;ethane
SMILESCC.CCCCP(OCC)OCCOCCOCCNC(=O)CNC(=O)CNC(=O)CNC(=O)CCCCC(=O)N1CC[C@H](OC)C1
InChIInChI=1S/C29H54N5O10P.C2H6/c1-4-6-19-45(43-5-2)44-18-17-42-16-15-41-14-12-30-26(36)20-32-28(38)22-33-27(37)21-31-25(35)9-7-8-10-29(39)34-13-11-24(23-34)40-3;1-2/h24H,4-23H2,1-3H3,(H,30,36)(H,31,35)(H,32,38)(H,33,37);1-2H3/t24-,45?;/m0./s1
InChIKeyQLSLNEBZFYBXJG-XCMWIHPFSA-N
XLogP1.48
TPSA182.86 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds27
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500693.82
LogP ≤ 51.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-[[2-[2-[2-[2-[butyl(ethoxy)phosphanyl]oxyethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-6-[(3S)-3-methoxypyrrolidin-1-yl]-6-oxohexanamide;ethane?
The IUPAC name of N-[2-[[2-[[2-[2-[2-[2-[butyl(ethoxy)phosphanyl]oxyethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-6-[(3S)-3-methoxypyrrolidin-1-yl]-6-oxohexanamide;ethane (CID 156850296) is N-[2-[[2-[[2-[2-[2-[2-[butyl(ethoxy)phosphanyl]oxyethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-6-[(3S)-3-methoxypyrrolidin-1-yl]-6-oxohexanamide;ethane.
What is the SMILES notation for N-[2-[[2-[[2-[2-[2-[2-[butyl(ethoxy)phosphanyl]oxyethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-6-[(3S)-3-methoxypyrrolidin-1-yl]-6-oxohexanamide;ethane?
The canonical SMILES for N-[2-[[2-[[2-[2-[2-[2-[butyl(ethoxy)phosphanyl]oxyethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-6-[(3S)-3-methoxypyrrolidin-1-yl]-6-oxohexanamide;ethane is CC.CCCCP(OCC)OCCOCCOCCNC(=O)CNC(=O)CNC(=O)CNC(=O)CCCCC(=O)N1CC[C@H](OC)C1.
What is the InChIKey of N-[2-[[2-[[2-[2-[2-[2-[butyl(ethoxy)phosphanyl]oxyethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-6-[(3S)-3-methoxypyrrolidin-1-yl]-6-oxohexanamide;ethane?
The InChIKey is QLSLNEBZFYBXJG-XCMWIHPFSA-N. The full InChI is InChI=1S/C29H54N5O10P.C2H6/c1-4-6-19-45(43-5-2)44-18-17-42-16-15-41-14-12-30-26(36)20-32-28(38)22-33-27(37)21-31-25(35)9-7-8-10-29(39)34-13-11-24(23-34)40-3;1-2/h24H,4-23H2,1-3H3,(H,30,36)(H,31,35)(H,32,38)(H,33,37);1-2H3/t24-,45?;/m0./s1.
What are the key properties of N-[2-[[2-[[2-[2-[2-[2-[butyl(ethoxy)phosphanyl]oxyethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-6-[(3S)-3-methoxypyrrolidin-1-yl]-6-oxohexanamide;ethane?
N-[2-[[2-[[2-[2-[2-[2-[butyl(ethoxy)phosphanyl]oxyethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-6-[(3S)-3-methoxypyrrolidin-1-yl]-6-oxohexanamide;ethane has a molecular weight of 693.82 g/mol, XLogP of 1.48, 27 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-[[2-[2-[2-[2-[butyl(ethoxy)phosphanyl]oxyethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-6-[(3S)-3-methoxypyrrolidin-1-yl]-6-oxohexanamide;ethane is sourced from PubChem (CID 156850296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).