ethane;N-[2-[2-(5-ethoxypentoxy)ethoxy]ethyl]-5-oxopentanamide;methanamine;18-oxononadecanal

C38H78N2O7 — CID 169217801

IUPACethane;N-[2-[2-(5-ethoxypentoxy)ethoxy]ethyl]-5-oxopentanamide;methanamine;18-oxononadecanal
SMILESCC.CC(=O)CCCCCCCCCCCCCCCCC=O.CCOCCCCCOCCOCCNC(=O)CCCC=O.CN
InChIInChI=1S/C19H36O2.C16H31NO5.C2H6.CH5N/c1-19(21)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20;1-2-20-11-6-3-7-12-21-14-15-22-13-9-17-16(19)8-4-5-10-18;2*1-2/h18H,2-17H2,1H3;10H,2-9,11-15H2,1H3,(H,17,19);1-2H3;2H2,1H3
InChIKeyIWDNOBYHDHUPSA-UHFFFAOYSA-N
MW675.05 g/mol
LogP8.33
Rot. Bonds34

About ethane;N-[2-[2-(5-ethoxypentoxy)ethoxy]ethyl]-5-oxopentanamide;methanamine;18-oxononadecanal

ethane;N-[2-[2-(5-ethoxypentoxy)ethoxy]ethyl]-5-oxopentanamide;methanamine;18-oxononadecanal (PubChem CID 169217801) has the molecular formula C38H78N2O7 and a molecular weight of 675.05 g/mol. Its IUPAC name is ethane;N-[2-[2-(5-ethoxypentoxy)ethoxy]ethyl]-5-oxopentanamide;methanamine;18-oxononadecanal.

Molecular Properties

Compound Nameethane;N-[2-[2-(5-ethoxypentoxy)ethoxy]ethyl]-5-oxopentanamide;methanamine;18-oxononadecanal
PubChem CID169217801
Molecular FormulaC38H78N2O7
Molecular Weight675.05 g/mol
Exact Mass674.58
IUPAC Nameethane;N-[2-[2-(5-ethoxypentoxy)ethoxy]ethyl]-5-oxopentanamide;methanamine;18-oxononadecanal
SMILESCC.CC(=O)CCCCCCCCCCCCCCCCC=O.CCOCCCCCOCCOCCNC(=O)CCCC=O.CN
InChIInChI=1S/C19H36O2.C16H31NO5.C2H6.CH5N/c1-19(21)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20;1-2-20-11-6-3-7-12-21-14-15-22-13-9-17-16(19)8-4-5-10-18;2*1-2/h18H,2-17H2,1H3;10H,2-9,11-15H2,1H3,(H,17,19);1-2H3;2H2,1H3
InChIKeyIWDNOBYHDHUPSA-UHFFFAOYSA-N
XLogP8.33
TPSA134.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds34
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.05
LogP ≤ 58.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

20-oxo-N-[4-oxo-4-[2-(5-oxopentoxy)ethylamino]butyl]icosanamide
CID 168992305
N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-5-oxopentanamide
CID 162740366
N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]hexadecanamide
CID 145049534
methanol;18-oxo-N-(8-oxononyl)octadecanamide
CID 144779859
N-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethyl]icosanamide
CID 171841567
CID 169190202
CID 169190202
ethane;5-(2-formamidoethoxy)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]pentanamide;pentane
CID 156865396
5-[2-[2-[2-[2-(2-ethoxyethoxy)ethylamino]prop-2-enoxy]ethoxy]ethylamino]-5-oxo-2-(17-oxoheptadec-1-en-2-ylamino)pentanoic acid
CID 164530612
hexakis(17-[2-(4-oxohexoxy)ethoxy]heptadecane-2,15-dione);pentakis(15-[2-(4-oxohexoxy)ethoxy]pentadecane-2,13-dione);10-oxo-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]dodecanamide
CID 157129322
16-amino-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]hexadecanamide;ethane
CID 145370854
9-methoxy-N-[2-[2-[2-[2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]nonanamide
CID 155405230
5-ethoxy-N-[2-(2-propan-2-yloxyethoxy)ethyl]pentanamide;molecular hydrogen
CID 177338018

Frequently Asked Questions

What is the IUPAC name of ethane;N-[2-[2-(5-ethoxypentoxy)ethoxy]ethyl]-5-oxopentanamide;methanamine;18-oxononadecanal?
The IUPAC name of ethane;N-[2-[2-(5-ethoxypentoxy)ethoxy]ethyl]-5-oxopentanamide;methanamine;18-oxononadecanal (CID 169217801) is ethane;N-[2-[2-(5-ethoxypentoxy)ethoxy]ethyl]-5-oxopentanamide;methanamine;18-oxononadecanal.
What is the SMILES notation for ethane;N-[2-[2-(5-ethoxypentoxy)ethoxy]ethyl]-5-oxopentanamide;methanamine;18-oxononadecanal?
The canonical SMILES for ethane;N-[2-[2-(5-ethoxypentoxy)ethoxy]ethyl]-5-oxopentanamide;methanamine;18-oxononadecanal is CC.CC(=O)CCCCCCCCCCCCCCCCC=O.CCOCCCCCOCCOCCNC(=O)CCCC=O.CN.
What is the InChIKey of ethane;N-[2-[2-(5-ethoxypentoxy)ethoxy]ethyl]-5-oxopentanamide;methanamine;18-oxononadecanal?
The InChIKey is IWDNOBYHDHUPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O2.C16H31NO5.C2H6.CH5N/c1-19(21)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20;1-2-20-11-6-3-7-12-21-14-15-22-13-9-17-16(19)8-4-5-10-18;2*1-2/h18H,2-17H2,1H3;10H,2-9,11-15H2,1H3,(H,17,19);1-2H3;2H2,1H3.
What are the key properties of ethane;N-[2-[2-(5-ethoxypentoxy)ethoxy]ethyl]-5-oxopentanamide;methanamine;18-oxononadecanal?
ethane;N-[2-[2-(5-ethoxypentoxy)ethoxy]ethyl]-5-oxopentanamide;methanamine;18-oxononadecanal has a molecular weight of 675.05 g/mol, XLogP of 8.33, 34 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[2-[2-(5-ethoxypentoxy)ethoxy]ethyl]-5-oxopentanamide;methanamine;18-oxononadecanal is sourced from PubChem (CID 169217801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).