N-[2-[2-hydroxyethyl(methyl)amino]ethyl]prop-2-enamide

C8H16N2O2 — CID 144591746

IUPACN-[2-[2-hydroxyethyl(methyl)amino]ethyl]prop-2-enamide
SMILESC=CC(=O)NCCN(C)CCO
InChIInChI=1S/C8H16N2O2/c1-3-8(12)9-4-5-10(2)6-7-11/h3,11H,1,4-7H2,2H3,(H,9,12)
InChIKeyIRLMMWOVBVAEFE-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.79
Rot. Bonds6

About N-[2-[2-hydroxyethyl(methyl)amino]ethyl]prop-2-enamide

N-[2-[2-hydroxyethyl(methyl)amino]ethyl]prop-2-enamide (PubChem CID 144591746) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is N-[2-[2-hydroxyethyl(methyl)amino]ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[2-hydroxyethyl(methyl)amino]ethyl]prop-2-enamide
PubChem CID144591746
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC NameN-[2-[2-hydroxyethyl(methyl)amino]ethyl]prop-2-enamide
SMILESC=CC(=O)NCCN(C)CCO
InChIInChI=1S/C8H16N2O2/c1-3-8(12)9-4-5-10(2)6-7-11/h3,11H,1,4-7H2,2H3,(H,9,12)
InChIKeyIRLMMWOVBVAEFE-UHFFFAOYSA-N
XLogP-0.79
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[12-(dimethylamino)dodecyl-methylamino]propyl]prop-2-enamide
CID 118567429
N-[2-(dimethylamino)ethyl]prop-2-enamide;molecular hydrogen
CID 176682975
N-[3-[hexyl(methyl)amino]propyl]prop-2-enamide
CID 129275452
N-[2-[bis[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide;propane
CID 144591761
3-[methyl-[2-(prop-2-enoylamino)ethyl]amino]propyl methanesulfonate
CID 166903586
N-(2-aminoethyl)prop-2-enamide;N,N-dimethylmethanamine;hydrochloride
CID 173056449
N-(3-hydroxypropyl)prop-2-enamide
CID 87194577
N,N-dimethylmethanamine;N-propylprop-2-enamide;hydrochloride
CID 173003472
N-[3-(dimethylamino)propyl]prop-2-enamide;prop-2-enamide;hydrochloride
CID 173080700
N-[2-[ethylidenecarbamoyl(methyl)amino]ethyl]prop-2-enamide
CID 141007643
N,N-dimethyl-3-(prop-2-enoylamino)propanamide
CID 19971020
N-[2-[ethyl(prop-2-enoyl)amino]ethyl]prop-2-enamide
CID 118586506

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-hydroxyethyl(methyl)amino]ethyl]prop-2-enamide?
The IUPAC name of N-[2-[2-hydroxyethyl(methyl)amino]ethyl]prop-2-enamide (CID 144591746) is N-[2-[2-hydroxyethyl(methyl)amino]ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-[2-hydroxyethyl(methyl)amino]ethyl]prop-2-enamide?
The canonical SMILES for N-[2-[2-hydroxyethyl(methyl)amino]ethyl]prop-2-enamide is C=CC(=O)NCCN(C)CCO.
What is the InChIKey of N-[2-[2-hydroxyethyl(methyl)amino]ethyl]prop-2-enamide?
The InChIKey is IRLMMWOVBVAEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-3-8(12)9-4-5-10(2)6-7-11/h3,11H,1,4-7H2,2H3,(H,9,12).
What are the key properties of N-[2-[2-hydroxyethyl(methyl)amino]ethyl]prop-2-enamide?
N-[2-[2-hydroxyethyl(methyl)amino]ethyl]prop-2-enamide has a molecular weight of 172.23 g/mol, XLogP of -0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-hydroxyethyl(methyl)amino]ethyl]prop-2-enamide is sourced from PubChem (CID 144591746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).