N-[3-[2-[2-[3-(2-hydroxypropylamino)propoxy]ethoxy]ethoxy]propyl]propanamide;N-[3-[2-[2-[3-(2-hydroxypropylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide

C32H66N4O10 — CID 159460964

IUPACN-[3-[2-[2-[3-(2-hydroxypropylamino)propoxy]ethoxy]ethoxy]propyl]propanamide;N-[3-[2-[2-[3-(2-hydroxypropylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide
SMILESC=CC(=O)NCCCOCCOCCOCCCNCC(C)O.CCC(=O)NCCCOCCOCCOCCCNCC(C)O
InChIInChI=1S/C16H34N2O5.C16H32N2O5/c2*1-3-16(20)18-7-5-9-22-11-13-23-12-10-21-8-4-6-17-14-15(2)19/h15,17,19H,3-14H2,1-2H3,(H,18,20);3,15,17,19H,1,4-14H2,2H3,(H,18,20)
InChIKeyLUOXOWMVJSPNJF-UHFFFAOYSA-N
MW666.90 g/mol
LogP0.40
Rot. Bonds34

About N-[3-[2-[2-[3-(2-hydroxypropylamino)propoxy]ethoxy]ethoxy]propyl]propanamide;N-[3-[2-[2-[3-(2-hydroxypropylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide

N-[3-[2-[2-[3-(2-hydroxypropylamino)propoxy]ethoxy]ethoxy]propyl]propanamide;N-[3-[2-[2-[3-(2-hydroxypropylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide (PubChem CID 159460964) has the molecular formula C32H66N4O10 and a molecular weight of 666.90 g/mol. Its IUPAC name is N-[3-[2-[2-[3-(2-hydroxypropylamino)propoxy]ethoxy]ethoxy]propyl]propanamide;N-[3-[2-[2-[3-(2-hydroxypropylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-[2-[2-[3-(2-hydroxypropylamino)propoxy]ethoxy]ethoxy]propyl]propanamide;N-[3-[2-[2-[3-(2-hydroxypropylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide
PubChem CID159460964
Molecular FormulaC32H66N4O10
Molecular Weight666.90 g/mol
Exact Mass666.48
IUPAC NameN-[3-[2-[2-[3-(2-hydroxypropylamino)propoxy]ethoxy]ethoxy]propyl]propanamide;N-[3-[2-[2-[3-(2-hydroxypropylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide
SMILESC=CC(=O)NCCCOCCOCCOCCCNCC(C)O.CCC(=O)NCCCOCCOCCOCCCNCC(C)O
InChIInChI=1S/C16H34N2O5.C16H32N2O5/c2*1-3-16(20)18-7-5-9-22-11-13-23-12-10-21-8-4-6-17-14-15(2)19/h15,17,19H,3-14H2,1-2H3,(H,18,20);3,15,17,19H,1,4-14H2,2H3,(H,18,20)
InChIKeyLUOXOWMVJSPNJF-UHFFFAOYSA-N
XLogP0.40
TPSA178.10 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds34
Heavy Atoms46
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500666.90
LogP ≤ 50.40
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-hydroxypropylamino)ethyl]prop-2-enamide
CID 104593753
N-[3-(prop-2-enoylamino)propyl]propanamide
CID 45119504
N-[3-[3-(prop-2-enoylamino)propoxy]propyl]prop-2-enamide
CID 58402359
N-[3-[4-[3-(prop-2-enoylamino)propoxy]butoxy]propyl]prop-2-enamide
CID 11522493
ethane;N-[3-[2-[2-[3-(propan-2-ylamino)propoxy]ethoxy]ethoxy]propyl]propanamide
CID 166555356
N-[3-(2-hydroxyethoxy)propyl]prop-2-enamide
CID 106305722
N-[3-(2-methylpropoxy)propyl]propanamide
CID 60705995
3-(prop-2-enoylamino)propyl 2-methylpropanoate
CID 147188833
6-(prop-2-enoylamino)-N-[2-[2-[2-[6-(prop-2-enoylamino)hexanoylamino]ethoxy]ethoxy]ethyl]hexanamide
CID 166503839
4-propan-2-yloxy-N-[4-(prop-2-enoylamino)butyl]butanamide
CID 88906866
N-(1-hydroxyethyl)-6-(prop-2-enoylamino)hexanamide
CID 174411041
N-[2-(2-butoxyethoxy)ethyl]propanamide
CID 153105198

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[2-[3-(2-hydroxypropylamino)propoxy]ethoxy]ethoxy]propyl]propanamide;N-[3-[2-[2-[3-(2-hydroxypropylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide?
The IUPAC name of N-[3-[2-[2-[3-(2-hydroxypropylamino)propoxy]ethoxy]ethoxy]propyl]propanamide;N-[3-[2-[2-[3-(2-hydroxypropylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide (CID 159460964) is N-[3-[2-[2-[3-(2-hydroxypropylamino)propoxy]ethoxy]ethoxy]propyl]propanamide;N-[3-[2-[2-[3-(2-hydroxypropylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide.
What is the SMILES notation for N-[3-[2-[2-[3-(2-hydroxypropylamino)propoxy]ethoxy]ethoxy]propyl]propanamide;N-[3-[2-[2-[3-(2-hydroxypropylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide?
The canonical SMILES for N-[3-[2-[2-[3-(2-hydroxypropylamino)propoxy]ethoxy]ethoxy]propyl]propanamide;N-[3-[2-[2-[3-(2-hydroxypropylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide is C=CC(=O)NCCCOCCOCCOCCCNCC(C)O.CCC(=O)NCCCOCCOCCOCCCNCC(C)O.
What is the InChIKey of N-[3-[2-[2-[3-(2-hydroxypropylamino)propoxy]ethoxy]ethoxy]propyl]propanamide;N-[3-[2-[2-[3-(2-hydroxypropylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide?
The InChIKey is LUOXOWMVJSPNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O5.C16H32N2O5/c2*1-3-16(20)18-7-5-9-22-11-13-23-12-10-21-8-4-6-17-14-15(2)19/h15,17,19H,3-14H2,1-2H3,(H,18,20);3,15,17,19H,1,4-14H2,2H3,(H,18,20).
What are the key properties of N-[3-[2-[2-[3-(2-hydroxypropylamino)propoxy]ethoxy]ethoxy]propyl]propanamide;N-[3-[2-[2-[3-(2-hydroxypropylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide?
N-[3-[2-[2-[3-(2-hydroxypropylamino)propoxy]ethoxy]ethoxy]propyl]propanamide;N-[3-[2-[2-[3-(2-hydroxypropylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide has a molecular weight of 666.90 g/mol, XLogP of 0.40, 34 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[2-[3-(2-hydroxypropylamino)propoxy]ethoxy]ethoxy]propyl]propanamide;N-[3-[2-[2-[3-(2-hydroxypropylamino)propoxy]ethoxy]ethoxy]propyl]prop-2-enamide is sourced from PubChem (CID 159460964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).