N-[2-(2-hydroxypropylamino)ethyl]prop-2-enamide

C8H16N2O2 — CID 104593753

IUPACN-[2-(2-hydroxypropylamino)ethyl]prop-2-enamide
SMILESC=CC(=O)NCCNCC(C)O
InChIInChI=1S/C8H16N2O2/c1-3-8(12)10-5-4-9-6-7(2)11/h3,7,9,11H,1,4-6H2,2H3,(H,10,12)
InChIKeyLLMXXIJSVWLHNV-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.74
Rot. Bonds6

About N-[2-(2-hydroxypropylamino)ethyl]prop-2-enamide

N-[2-(2-hydroxypropylamino)ethyl]prop-2-enamide (PubChem CID 104593753) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is N-[2-(2-hydroxypropylamino)ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-(2-hydroxypropylamino)ethyl]prop-2-enamide
PubChem CID104593753
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC NameN-[2-(2-hydroxypropylamino)ethyl]prop-2-enamide
SMILESC=CC(=O)NCCNCC(C)O
InChIInChI=1S/C8H16N2O2/c1-3-8(12)10-5-4-9-6-7(2)11/h3,7,9,11H,1,4-6H2,2H3,(H,10,12)
InChIKeyLLMXXIJSVWLHNV-UHFFFAOYSA-N
XLogP-0.74
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-[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
2-ethyl-N-[2-(2-hydroxypropylamino)ethyl]butanamide
CID 104593762
formic acid;N-(2-methylpropyl)prop-2-enamide
CID 174936612
N-[2-(2-hydroxypropylamino)ethyl]butanamide
CID 104593451
N-[2-(2-hydroxypropylamino)ethyl]but-2-ynamide
CID 107990806
2-(prop-2-enoylamino)ethyl 2-hydroxypropanoate
CID 87097476
N-(2,2-dihydroxyethyl)prop-2-enamide
CID 22929468
N-(2-aminopropyl)prop-2-enamide
CID 19993421
N-[4-(prop-2-enoylamino)butyl]prop-2-enamide
CID 11542941
3-[dimethyl-[3-(prop-2-enoylamino)propyl]phosphaniumyl]propyl-dimethyl-[3-(prop-2-enoylamino)propyl]phosphanium
CID 162769514
N-[2-(octadecylamino)ethyl]prop-2-enamide;hydrobromide
CID 175049949
trimethyl-[2-(prop-2-enoylamino)ethylamino]azanium
CID 174542522

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxypropylamino)ethyl]prop-2-enamide?
The IUPAC name of N-[2-(2-hydroxypropylamino)ethyl]prop-2-enamide (CID 104593753) is N-[2-(2-hydroxypropylamino)ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-(2-hydroxypropylamino)ethyl]prop-2-enamide?
The canonical SMILES for N-[2-(2-hydroxypropylamino)ethyl]prop-2-enamide is C=CC(=O)NCCNCC(C)O.
What is the InChIKey of N-[2-(2-hydroxypropylamino)ethyl]prop-2-enamide?
The InChIKey is LLMXXIJSVWLHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-3-8(12)10-5-4-9-6-7(2)11/h3,7,9,11H,1,4-6H2,2H3,(H,10,12).
What are the key properties of N-[2-(2-hydroxypropylamino)ethyl]prop-2-enamide?
N-[2-(2-hydroxypropylamino)ethyl]prop-2-enamide has a molecular weight of 172.23 g/mol, XLogP of -0.74, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxypropylamino)ethyl]prop-2-enamide is sourced from PubChem (CID 104593753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).