N-(hydroxymethyl)-N-(methoxymethyl)-2-methylprop-2-enamide

C7H13NO3 — CID 19038709

IUPACN-(hydroxymethyl)-N-(methoxymethyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)N(CO)COC
InChIInChI=1S/C7H13NO3/c1-6(2)7(10)8(4-9)5-11-3/h9H,1,4-5H2,2-3H3
InChIKeyVJNUNAWTNGNUNU-UHFFFAOYSA-N
MW159.18 g/mol
LogP-0.06
Rot. Bonds4

About N-(hydroxymethyl)-N-(methoxymethyl)-2-methylprop-2-enamide

N-(hydroxymethyl)-N-(methoxymethyl)-2-methylprop-2-enamide (PubChem CID 19038709) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is N-(hydroxymethyl)-N-(methoxymethyl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(hydroxymethyl)-N-(methoxymethyl)-2-methylprop-2-enamide
PubChem CID19038709
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC NameN-(hydroxymethyl)-N-(methoxymethyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)N(CO)COC
InChIInChI=1S/C7H13NO3/c1-6(2)7(10)8(4-9)5-11-3/h9H,1,4-5H2,2-3H3
InChIKeyVJNUNAWTNGNUNU-UHFFFAOYSA-N
XLogP-0.06
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(ethoxymethyl)-N-(methoxymethyl)-2-methylprop-2-enamide
CID 18794978
N-[3-(dimethylamino)propyl]-N-(methoxymethyl)-2-methylprop-2-enamide
CID 151029194
N-(methoxymethyl)-2-methyl-N-octylprop-2-enamide
CID 139967484
N-(methoxymethyl)-2-methyl-N-(pentoxymethyl)prop-2-enamide
CID 19038714
N-[[hydroxymethyl(2-methylprop-2-enoyl)amino]methyl]-2-methylprop-2-enamide
CID 21330966
N-(2-methoxyethyl)-2-methyl-N-propylprop-2-enamide
CID 91054907
N,N-bis(2-hydroxyethyl)-2-methylprop-2-enamide;2-methylprop-2-enamide
CID 175383713
2-[2-methylprop-2-enoyl(propyl)amino]acetic acid
CID 150716487
N-methoxy-N-[3-[methoxy(2-methylprop-2-enoyl)amino]propyl]-2-methylprop-2-enamide
CID 58288610
N-(2-methoxyethyl)-2-methyl-N-(3-methylbuta-1,3-dien-2-yl)prop-2-enamide
CID 144598404
N-ethyl-N-(methoxymethyl)-2,2-dimethylpropanamide
CID 176739143
N-acetyl-N-(methoxymethyl)acetamide
CID 91032025

Frequently Asked Questions

What is the IUPAC name of N-(hydroxymethyl)-N-(methoxymethyl)-2-methylprop-2-enamide?
The IUPAC name of N-(hydroxymethyl)-N-(methoxymethyl)-2-methylprop-2-enamide (CID 19038709) is N-(hydroxymethyl)-N-(methoxymethyl)-2-methylprop-2-enamide.
What is the SMILES notation for N-(hydroxymethyl)-N-(methoxymethyl)-2-methylprop-2-enamide?
The canonical SMILES for N-(hydroxymethyl)-N-(methoxymethyl)-2-methylprop-2-enamide is C=C(C)C(=O)N(CO)COC.
What is the InChIKey of N-(hydroxymethyl)-N-(methoxymethyl)-2-methylprop-2-enamide?
The InChIKey is VJNUNAWTNGNUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-6(2)7(10)8(4-9)5-11-3/h9H,1,4-5H2,2-3H3.
What are the key properties of N-(hydroxymethyl)-N-(methoxymethyl)-2-methylprop-2-enamide?
N-(hydroxymethyl)-N-(methoxymethyl)-2-methylprop-2-enamide has a molecular weight of 159.18 g/mol, XLogP of -0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(hydroxymethyl)-N-(methoxymethyl)-2-methylprop-2-enamide is sourced from PubChem (CID 19038709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).