N-[3-[bis(2-hydroxyethoxy)amino]propyl]prop-2-enamide

C10H20N2O5 — CID 87923177

IUPACN-[3-[bis(2-hydroxyethoxy)amino]propyl]prop-2-enamide
SMILESC=CC(=O)NCCCN(OCCO)OCCO
InChIInChI=1S/C10H20N2O5/c1-2-10(15)11-4-3-5-12(16-8-6-13)17-9-7-14/h2,13-14H,1,3-9H2,(H,11,15)
InChIKeyBWBMKULQOQMMGA-UHFFFAOYSA-N
MW248.28 g/mol
LogP-1.17
Rot. Bonds11

About N-[3-[bis(2-hydroxyethoxy)amino]propyl]prop-2-enamide

N-[3-[bis(2-hydroxyethoxy)amino]propyl]prop-2-enamide (PubChem CID 87923177) has the molecular formula C10H20N2O5 and a molecular weight of 248.28 g/mol. Its IUPAC name is N-[3-[bis(2-hydroxyethoxy)amino]propyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-[bis(2-hydroxyethoxy)amino]propyl]prop-2-enamide
PubChem CID87923177
Molecular FormulaC10H20N2O5
Molecular Weight248.28 g/mol
Exact Mass248.14
IUPAC NameN-[3-[bis(2-hydroxyethoxy)amino]propyl]prop-2-enamide
SMILESC=CC(=O)NCCCN(OCCO)OCCO
InChIInChI=1S/C10H20N2O5/c1-2-10(15)11-4-3-5-12(16-8-6-13)17-9-7-14/h2,13-14H,1,3-9H2,(H,11,15)
InChIKeyBWBMKULQOQMMGA-UHFFFAOYSA-N
XLogP-1.17
TPSA91.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 5-1.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-hydroxyethoxy)propyl]prop-2-enamide
CID 106305722
N-(3-hydroxypropyl)prop-2-enamide
CID 87194577
N-[4-(prop-2-enoylamino)butyl]prop-2-enamide
CID 11542941
N-[3-[3-(prop-2-enoylamino)propoxy]propyl]prop-2-enamide
CID 58402359
N-[12-(prop-2-enoylamino)dodecyl]prop-2-enamide;N-[9-(prop-2-enoylamino)nonyl]prop-2-enamide
CID 159527537
N-[3-[4-[3-(prop-2-enoylamino)propoxy]butoxy]propyl]prop-2-enamide
CID 11522493
N-[3-[di(propan-2-yl)amino]propyl]prop-2-enamide
CID 87733946
N-[2-[2-hydroxyethyl(methyl)amino]ethyl]prop-2-enamide
CID 144591746
N-[3-[12-(dimethylamino)dodecyl-methylamino]propyl]prop-2-enamide
CID 118567429
N-[3-(dioctylamino)propyl]prop-2-enamide
CID 54306964
N-[3-(dimethylamino)propyl]prop-2-enamide;prop-2-enamide;hydrochloride
CID 173080700
N-[3-[hexyl(methyl)amino]propyl]prop-2-enamide
CID 129275452

Frequently Asked Questions

What is the IUPAC name of N-[3-[bis(2-hydroxyethoxy)amino]propyl]prop-2-enamide?
The IUPAC name of N-[3-[bis(2-hydroxyethoxy)amino]propyl]prop-2-enamide (CID 87923177) is N-[3-[bis(2-hydroxyethoxy)amino]propyl]prop-2-enamide.
What is the SMILES notation for N-[3-[bis(2-hydroxyethoxy)amino]propyl]prop-2-enamide?
The canonical SMILES for N-[3-[bis(2-hydroxyethoxy)amino]propyl]prop-2-enamide is C=CC(=O)NCCCN(OCCO)OCCO.
What is the InChIKey of N-[3-[bis(2-hydroxyethoxy)amino]propyl]prop-2-enamide?
The InChIKey is BWBMKULQOQMMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O5/c1-2-10(15)11-4-3-5-12(16-8-6-13)17-9-7-14/h2,13-14H,1,3-9H2,(H,11,15).
What are the key properties of N-[3-[bis(2-hydroxyethoxy)amino]propyl]prop-2-enamide?
N-[3-[bis(2-hydroxyethoxy)amino]propyl]prop-2-enamide has a molecular weight of 248.28 g/mol, XLogP of -1.17, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[bis(2-hydroxyethoxy)amino]propyl]prop-2-enamide is sourced from PubChem (CID 87923177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).