N-methoxy-N-[3-[methoxy(2-methylprop-2-enoyl)amino]propyl]-2-methylprop-2-enamide

C13H22N2O4 — CID 58288610

IUPACN-methoxy-N-[3-[methoxy(2-methylprop-2-enoyl)amino]propyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)N(CCCN(OC)C(=O)C(=C)C)OC
InChIInChI=1S/C13H22N2O4/c1-10(2)12(16)14(18-5)8-7-9-15(19-6)13(17)11(3)4/h1,3,7-9H2,2,4-6H3
InChIKeyRUQGMDFBHNXJII-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.31
Rot. Bonds8

About N-methoxy-N-[3-[methoxy(2-methylprop-2-enoyl)amino]propyl]-2-methylprop-2-enamide

N-methoxy-N-[3-[methoxy(2-methylprop-2-enoyl)amino]propyl]-2-methylprop-2-enamide (PubChem CID 58288610) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-methoxy-N-[3-[methoxy(2-methylprop-2-enoyl)amino]propyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-methoxy-N-[3-[methoxy(2-methylprop-2-enoyl)amino]propyl]-2-methylprop-2-enamide
PubChem CID58288610
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC NameN-methoxy-N-[3-[methoxy(2-methylprop-2-enoyl)amino]propyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)N(CCCN(OC)C(=O)C(=C)C)OC
InChIInChI=1S/C13H22N2O4/c1-10(2)12(16)14(18-5)8-7-9-15(19-6)13(17)11(3)4/h1,3,7-9H2,2,4-6H3
InChIKeyRUQGMDFBHNXJII-UHFFFAOYSA-N
XLogP1.31
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-(dimethylamino)propyl]-N-(methoxymethyl)-2-methylprop-2-enamide
CID 151029194
2-methyl-N-(2-methylprop-2-enoyl)-N-(4-trimethoxysilylbutyl)prop-2-enamide
CID 174145597
N-(2-methoxyethyl)-2-methyl-N-(3-methylbuta-1,3-dien-2-yl)prop-2-enamide
CID 144598404
N-methoxy-N-(5-oxopentyl)acetamide
CID 169199563
N-(methoxymethyl)-2-methyl-N-octylprop-2-enamide
CID 139967484
N-(2-methoxyethyl)-2-methyl-N-propylprop-2-enamide
CID 91054907
3-(dimethoxyamino)propyl 2-methylprop-2-enoate
CID 163889892
N-(hydroxymethyl)-N-(methoxymethyl)-2-methylprop-2-enamide
CID 19038709
2-methyl-N-pentylprop-2-enehydrazide
CID 87197020
N-butyl-2-methyl-N-pentylprop-2-enamide
CID 87098831
2-methyl-N-(5-methyl-4-oxohex-5-enyl)-N-[2-[2-[(5-methyl-4-oxohex-5-enyl)-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl]prop-2-enamide
CID 160771309
azane;N,N,2-trimethylprop-2-enamide
CID 162327856

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-[3-[methoxy(2-methylprop-2-enoyl)amino]propyl]-2-methylprop-2-enamide?
The IUPAC name of N-methoxy-N-[3-[methoxy(2-methylprop-2-enoyl)amino]propyl]-2-methylprop-2-enamide (CID 58288610) is N-methoxy-N-[3-[methoxy(2-methylprop-2-enoyl)amino]propyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-methoxy-N-[3-[methoxy(2-methylprop-2-enoyl)amino]propyl]-2-methylprop-2-enamide?
The canonical SMILES for N-methoxy-N-[3-[methoxy(2-methylprop-2-enoyl)amino]propyl]-2-methylprop-2-enamide is C=C(C)C(=O)N(CCCN(OC)C(=O)C(=C)C)OC.
What is the InChIKey of N-methoxy-N-[3-[methoxy(2-methylprop-2-enoyl)amino]propyl]-2-methylprop-2-enamide?
The InChIKey is RUQGMDFBHNXJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-10(2)12(16)14(18-5)8-7-9-15(19-6)13(17)11(3)4/h1,3,7-9H2,2,4-6H3.
What are the key properties of N-methoxy-N-[3-[methoxy(2-methylprop-2-enoyl)amino]propyl]-2-methylprop-2-enamide?
N-methoxy-N-[3-[methoxy(2-methylprop-2-enoyl)amino]propyl]-2-methylprop-2-enamide has a molecular weight of 270.33 g/mol, XLogP of 1.31, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-[3-[methoxy(2-methylprop-2-enoyl)amino]propyl]-2-methylprop-2-enamide is sourced from PubChem (CID 58288610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).