molecular hydrogen;N-[2-oxo-2-[2-(2-oxopentoxy)ethylamino]ethyl]-3-(2-propan-2-yloxyethoxy)propanamide

C17H36N2O6 — CID 178126322

IUPACmolecular hydrogen;N-[2-oxo-2-[2-(2-oxopentoxy)ethylamino]ethyl]-3-(2-propan-2-yloxyethoxy)propanamide
SMILESCCCC(=O)COCCNC(=O)CNC(=O)CCOCCOC(C)C.[H][H].[H][H]
InChIInChI=1S/C17H32N2O6.2H2/c1-4-5-15(20)13-24-9-7-18-17(22)12-19-16(21)6-8-23-10-11-25-14(2)3;;/h14H,4-13H2,1-3H3,(H,18,22)(H,19,21);2*1H
InChIKeyOVFKSKLYSHDACM-UHFFFAOYSA-N
MW364.48 g/mol
LogP0.93
Rot. Bonds16

About molecular hydrogen;N-[2-oxo-2-[2-(2-oxopentoxy)ethylamino]ethyl]-3-(2-propan-2-yloxyethoxy)propanamide

molecular hydrogen;N-[2-oxo-2-[2-(2-oxopentoxy)ethylamino]ethyl]-3-(2-propan-2-yloxyethoxy)propanamide (PubChem CID 178126322) has the molecular formula C17H36N2O6 and a molecular weight of 364.48 g/mol. Its IUPAC name is molecular hydrogen;N-[2-oxo-2-[2-(2-oxopentoxy)ethylamino]ethyl]-3-(2-propan-2-yloxyethoxy)propanamide.

Molecular Properties

Compound Namemolecular hydrogen;N-[2-oxo-2-[2-(2-oxopentoxy)ethylamino]ethyl]-3-(2-propan-2-yloxyethoxy)propanamide
PubChem CID178126322
Molecular FormulaC17H36N2O6
Molecular Weight364.48 g/mol
Exact Mass364.26
IUPAC Namemolecular hydrogen;N-[2-oxo-2-[2-(2-oxopentoxy)ethylamino]ethyl]-3-(2-propan-2-yloxyethoxy)propanamide
SMILESCCCC(=O)COCCNC(=O)CNC(=O)CCOCCOC(C)C.[H][H].[H][H]
InChIInChI=1S/C17H32N2O6.2H2/c1-4-5-15(20)13-24-9-7-18-17(22)12-19-16(21)6-8-23-10-11-25-14(2)3;;/h14H,4-13H2,1-3H3,(H,18,22)(H,19,21);2*1H
InChIKeyOVFKSKLYSHDACM-UHFFFAOYSA-N
XLogP0.93
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.48
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

molecular hydrogen;N-[2-oxo-2-[2-(2-oxobutoxy)ethylamino]ethyl]-3-(2-propan-2-yloxyethoxy)propanamide
CID 167464435
molecular hydrogen;N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]-3-[2-[[2-[2-(2-propoxyethoxy)ethoxy]acetyl]amino]ethoxy]propanamide
CID 176953270
3-[2-(2-ethoxyethoxy)ethoxy]-N-(2-propan-2-yloxyethyl)propanamide;molecular hydrogen
CID 156820526
molecular hydrogen;4-propan-2-yloxy-N-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]butanamide
CID 155739531
N-[2-[2-[2-[2-[3-[[2-[[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 170214750
N-[2-(2-amino-2-oxoethoxy)ethyl]-3-propan-2-yloxypropanamide
CID 169159444
5-ethoxy-N-[2-(2-propan-2-yloxyethoxy)ethyl]pentanamide;molecular hydrogen
CID 177338018
4-methyl-N-[2-(2-propan-2-yloxyethoxy)ethyl]pentanamide
CID 176759210
N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]propanamide
CID 166555863
ethane;N-[2-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethoxy]ethyl]butanamide
CID 166081207
3-[2-[[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]acetyl]amino]-3-[3-oxo-3-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethylamino]propoxy]propoxy]-N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]propanamide
CID 176825441
ethane;3-(2-methoxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethylamino]-2-oxoethyl]propanamide
CID 169159646

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;N-[2-oxo-2-[2-(2-oxopentoxy)ethylamino]ethyl]-3-(2-propan-2-yloxyethoxy)propanamide?
The IUPAC name of molecular hydrogen;N-[2-oxo-2-[2-(2-oxopentoxy)ethylamino]ethyl]-3-(2-propan-2-yloxyethoxy)propanamide (CID 178126322) is molecular hydrogen;N-[2-oxo-2-[2-(2-oxopentoxy)ethylamino]ethyl]-3-(2-propan-2-yloxyethoxy)propanamide.
What is the SMILES notation for molecular hydrogen;N-[2-oxo-2-[2-(2-oxopentoxy)ethylamino]ethyl]-3-(2-propan-2-yloxyethoxy)propanamide?
The canonical SMILES for molecular hydrogen;N-[2-oxo-2-[2-(2-oxopentoxy)ethylamino]ethyl]-3-(2-propan-2-yloxyethoxy)propanamide is CCCC(=O)COCCNC(=O)CNC(=O)CCOCCOC(C)C.[H][H].[H][H].
What is the InChIKey of molecular hydrogen;N-[2-oxo-2-[2-(2-oxopentoxy)ethylamino]ethyl]-3-(2-propan-2-yloxyethoxy)propanamide?
The InChIKey is OVFKSKLYSHDACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O6.2H2/c1-4-5-15(20)13-24-9-7-18-17(22)12-19-16(21)6-8-23-10-11-25-14(2)3;;/h14H,4-13H2,1-3H3,(H,18,22)(H,19,21);2*1H.
What are the key properties of molecular hydrogen;N-[2-oxo-2-[2-(2-oxopentoxy)ethylamino]ethyl]-3-(2-propan-2-yloxyethoxy)propanamide?
molecular hydrogen;N-[2-oxo-2-[2-(2-oxopentoxy)ethylamino]ethyl]-3-(2-propan-2-yloxyethoxy)propanamide has a molecular weight of 364.48 g/mol, XLogP of 0.93, 16 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;N-[2-oxo-2-[2-(2-oxopentoxy)ethylamino]ethyl]-3-(2-propan-2-yloxyethoxy)propanamide is sourced from PubChem (CID 178126322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).