3-methoxy-N-propan-2-ylprop-2-enamide

C7H13NO2 — CID 54518400

IUPAC3-methoxy-N-propan-2-ylprop-2-enamide
SMILESCOC=CC(=O)NC(C)C
InChIInChI=1S/C7H13NO2/c1-6(2)8-7(9)4-5-10-3/h4-6H,1-3H3,(H,8,9)
InChIKeyYOAGBXZMPZPMFF-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.67
Rot. Bonds3

About 3-methoxy-N-propan-2-ylprop-2-enamide

3-methoxy-N-propan-2-ylprop-2-enamide (PubChem CID 54518400) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 3-methoxy-N-propan-2-ylprop-2-enamide.

Molecular Properties

Compound Name3-methoxy-N-propan-2-ylprop-2-enamide
PubChem CID54518400
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name3-methoxy-N-propan-2-ylprop-2-enamide
SMILESCOC=CC(=O)NC(C)C
InChIInChI=1S/C7H13NO2/c1-6(2)8-7(9)4-5-10-3/h4-6H,1-3H3,(H,8,9)
InChIKeyYOAGBXZMPZPMFF-UHFFFAOYSA-N
XLogP0.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-Isopropylacrylamide
CID 16637
N-(3-Methoxypropyl)acrylamide
CID 10290850
n-s-Butylacrylamide
CID 10171451
N-(2-methoxyethyl)acrylamide
CID 11976962
Acrylic acid beta-vinyloxyethylamide
CID 14946261
(E)-3-(fluoromethoxy)-N-methylprop-2-enamide
CID 134405434
N-(1-methoxyethyl)prop-2-enamide
CID 11182618
N-(3-ethenoxypropyl)prop-2-enamide
CID 15883038
N-(1-ethoxyethyl)prop-2-enamide
CID 19100516
(E)-3-ethoxy-N-methylprop-2-enamide
CID 21655046
N-(1-methoxypropyl)prop-2-enamide
CID 22016508
N-[(2R)-butan-2-yl]prop-2-enamide
CID 22884873

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-propan-2-ylprop-2-enamide?
The IUPAC name of 3-methoxy-N-propan-2-ylprop-2-enamide (CID 54518400) is 3-methoxy-N-propan-2-ylprop-2-enamide.
What is the SMILES notation for 3-methoxy-N-propan-2-ylprop-2-enamide?
The canonical SMILES for 3-methoxy-N-propan-2-ylprop-2-enamide is COC=CC(=O)NC(C)C.
What is the InChIKey of 3-methoxy-N-propan-2-ylprop-2-enamide?
The InChIKey is YOAGBXZMPZPMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-6(2)8-7(9)4-5-10-3/h4-6H,1-3H3,(H,8,9).
What are the key properties of 3-methoxy-N-propan-2-ylprop-2-enamide?
3-methoxy-N-propan-2-ylprop-2-enamide has a molecular weight of 143.19 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-propan-2-ylprop-2-enamide is sourced from PubChem (CID 54518400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).