N-[2-(2-methoxyethylamino)ethyl]-2-methylprop-2-enamide

C9H18N2O2 — CID 123448729

IUPACN-[2-(2-methoxyethylamino)ethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCNCCOC
InChIInChI=1S/C9H18N2O2/c1-8(2)9(12)11-5-4-10-6-7-13-3/h10H,1,4-7H2,2-3H3,(H,11,12)
InChIKeyCMMIQMVVTFEGBR-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.09
Rot. Bonds7

About N-[2-(2-methoxyethylamino)ethyl]-2-methylprop-2-enamide

N-[2-(2-methoxyethylamino)ethyl]-2-methylprop-2-enamide (PubChem CID 123448729) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is N-[2-(2-methoxyethylamino)ethyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethylamino)ethyl]-2-methylprop-2-enamide
PubChem CID123448729
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC NameN-[2-(2-methoxyethylamino)ethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCNCCOC
InChIInChI=1S/C9H18N2O2/c1-8(2)9(12)11-5-4-10-6-7-13-3/h10H,1,4-7H2,2-3H3,(H,11,12)
InChIKeyCMMIQMVVTFEGBR-UHFFFAOYSA-N
XLogP-0.09
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
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-[2-(2-hydroxyethylamino)ethyl]-2-methylprop-2-enamide
CID 87508731
N-(5-methoxypentyl)-2-methylprop-2-enamide
CID 137383659
(Z)-N-[2-(2-methoxyethylamino)ethyl]-2-methylpent-2-enamide
CID 82994252
1-(2-methoxyethylamino)-3-methylbut-3-en-2-one
CID 116591519
N-[2-[2-[2-[2-(methanesulfonamido)ethylamino]ethylamino]ethylamino]ethyl]-2-methylprop-2-enamide
CID 139973185
ethane;2-methyl-N-[2-(methylamino)ethyl]prop-2-enamide
CID 145071357
2-methyl-N-[2-(2-pyridin-1-ium-1-ylethylamino)ethyl]prop-2-enamide
CID 175239345
N-[2-[methoxy(dimethyl)silyl]ethyl]-2-methylprop-2-enamide
CID 22282767
1-O-methyl 4-O-[2-(2-methylprop-2-enoylamino)ethyl] butanedioate
CID 88908253
2-methyl-N-propylprop-2-enamide;hydrobromide
CID 172725706
2-methyl-N-propylprop-2-enamide;hydrochloride
CID 87485783
3-(dimethylamino)-N-[2-(2-methoxyethylamino)ethyl]propanamide
CID 83039390

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethylamino)ethyl]-2-methylprop-2-enamide?
The IUPAC name of N-[2-(2-methoxyethylamino)ethyl]-2-methylprop-2-enamide (CID 123448729) is N-[2-(2-methoxyethylamino)ethyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[2-(2-methoxyethylamino)ethyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[2-(2-methoxyethylamino)ethyl]-2-methylprop-2-enamide is C=C(C)C(=O)NCCNCCOC.
What is the InChIKey of N-[2-(2-methoxyethylamino)ethyl]-2-methylprop-2-enamide?
The InChIKey is CMMIQMVVTFEGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-8(2)9(12)11-5-4-10-6-7-13-3/h10H,1,4-7H2,2-3H3,(H,11,12).
What are the key properties of N-[2-(2-methoxyethylamino)ethyl]-2-methylprop-2-enamide?
N-[2-(2-methoxyethylamino)ethyl]-2-methylprop-2-enamide has a molecular weight of 186.25 g/mol, XLogP of -0.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethylamino)ethyl]-2-methylprop-2-enamide is sourced from PubChem (CID 123448729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).