N-[1,3-dimethoxy-2-(methoxymethyl)propan-2-yl]prop-2-enamide

C10H19NO4 — CID 86215980

IUPACN-[1,3-dimethoxy-2-(methoxymethyl)propan-2-yl]prop-2-enamide
SMILESC=CC(=O)NC(COC)(COC)COC
InChIInChI=1S/C10H19NO4/c1-5-9(12)11-10(6-13-2,7-14-3)8-15-4/h5H,1,6-8H2,2-4H3,(H,11,12)
InChIKeyBTCCWEPAAKQMEF-UHFFFAOYSA-N
MW217.26 g/mol
LogP-0.03
Rot. Bonds8

About N-[1,3-dimethoxy-2-(methoxymethyl)propan-2-yl]prop-2-enamide

N-[1,3-dimethoxy-2-(methoxymethyl)propan-2-yl]prop-2-enamide (PubChem CID 86215980) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is N-[1,3-dimethoxy-2-(methoxymethyl)propan-2-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[1,3-dimethoxy-2-(methoxymethyl)propan-2-yl]prop-2-enamide
PubChem CID86215980
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC NameN-[1,3-dimethoxy-2-(methoxymethyl)propan-2-yl]prop-2-enamide
SMILESC=CC(=O)NC(COC)(COC)COC
InChIInChI=1S/C10H19NO4/c1-5-9(12)11-10(6-13-2,7-14-3)8-15-4/h5H,1,6-8H2,2-4H3,(H,11,12)
InChIKeyBTCCWEPAAKQMEF-UHFFFAOYSA-N
XLogP-0.03
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1,3-dimethoxy-2-(methoxymethyl)propan-2-yl]acetamide
CID 126717366
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl](113C)prop-2-enamide
CID 10397303
N-[1-hydroxy-3-trimethylsilyloxy-2-(trimethylsilyloxymethyl)propan-2-yl]prop-2-enamide
CID 175636430
bis[2-ethyl-2-(prop-2-enoylamino)butoxy]-oxophosphanium
CID 174815200
N-[3-(aminomethyl)pentan-3-yl]prop-2-enamide
CID 63887567
N-(4-methoxy-2,4-dimethylpentan-2-yl)prop-2-enamide
CID 166835322
N-[3-[2-[3-(methylamino)propoxymethyl]-2-(prop-2-enoylamino)-3-[3-(prop-2-enoylamino)propoxy]propoxy]propyl]prop-2-enamide
CID 130306231
methyl 2-hydroxy-2-(prop-2-enoylamino)propanoate
CID 18920614
N-[1-amino-1-(prop-2-enoylamino)ethyl]prop-2-enamide
CID 87509338
N-tert-butylprop-2-enamide;sulfane
CID 158648389
N-(1,3-dihydroxy-2-methylpropan-2-yl)prop-2-enamide
CID 19357497
trimethyl-[2-methyl-2-(prop-2-enoylamino)propyl]azanium chloride
CID 11775668

Frequently Asked Questions

What is the IUPAC name of N-[1,3-dimethoxy-2-(methoxymethyl)propan-2-yl]prop-2-enamide?
The IUPAC name of N-[1,3-dimethoxy-2-(methoxymethyl)propan-2-yl]prop-2-enamide (CID 86215980) is N-[1,3-dimethoxy-2-(methoxymethyl)propan-2-yl]prop-2-enamide.
What is the SMILES notation for N-[1,3-dimethoxy-2-(methoxymethyl)propan-2-yl]prop-2-enamide?
The canonical SMILES for N-[1,3-dimethoxy-2-(methoxymethyl)propan-2-yl]prop-2-enamide is C=CC(=O)NC(COC)(COC)COC.
What is the InChIKey of N-[1,3-dimethoxy-2-(methoxymethyl)propan-2-yl]prop-2-enamide?
The InChIKey is BTCCWEPAAKQMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-5-9(12)11-10(6-13-2,7-14-3)8-15-4/h5H,1,6-8H2,2-4H3,(H,11,12).
What are the key properties of N-[1,3-dimethoxy-2-(methoxymethyl)propan-2-yl]prop-2-enamide?
N-[1,3-dimethoxy-2-(methoxymethyl)propan-2-yl]prop-2-enamide has a molecular weight of 217.26 g/mol, XLogP of -0.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-dimethoxy-2-(methoxymethyl)propan-2-yl]prop-2-enamide is sourced from PubChem (CID 86215980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).