3-methoxy-N-(1-methoxypropan-2-yl)-4-prop-2-enoxybenzamide

C15H21NO4 — CID 18161158

IUPAC3-methoxy-N-(1-methoxypropan-2-yl)-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)NC(C)COC)cc1OC
InChIInChI=1S/C15H21NO4/c1-5-8-20-13-7-6-12(9-14(13)19-4)15(17)16-11(2)10-18-3/h5-7,9,11H,1,8,10H2,2-4H3,(H,16,17)
InChIKeyNNJGDYNMYHFNDJ-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.02
Rot. Bonds8

About 3-methoxy-N-(1-methoxypropan-2-yl)-4-prop-2-enoxybenzamide

3-methoxy-N-(1-methoxypropan-2-yl)-4-prop-2-enoxybenzamide (PubChem CID 18161158) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-methoxy-N-(1-methoxypropan-2-yl)-4-prop-2-enoxybenzamide.

Molecular Properties

Compound Name3-methoxy-N-(1-methoxypropan-2-yl)-4-prop-2-enoxybenzamide
PubChem CID18161158
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name3-methoxy-N-(1-methoxypropan-2-yl)-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)NC(C)COC)cc1OC
InChIInChI=1S/C15H21NO4/c1-5-8-20-13-7-6-12(9-14(13)19-4)15(17)16-11(2)10-18-3/h5-7,9,11H,1,8,10H2,2-4H3,(H,16,17)
InChIKeyNNJGDYNMYHFNDJ-UHFFFAOYSA-N
XLogP2.02
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-(1-methoxypropan-2-yl)-3-methylbenzamide
CID 18892567
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-methoxy-4-prop-2-enoxybenzamide
CID 24550128
3-methoxy-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]-4-prop-2-enoxybenzamide
CID 27861011
N-[1-(4-ethylphenyl)ethyl]-3-methoxy-4-prop-2-enoxybenzamide
CID 46654068
N-(1-aminooxypropan-2-yl)-3,4-dimethoxybenzamide
CID 112501675
1-N,4-N-bis[(2R)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide
CID 25476067
N-(3-amino-2-methylpropyl)-3-methoxy-4-prop-2-enoxybenzamide
CID 119998178
N-[(2R)-1-methoxypropan-2-yl]-3,4-dimethylbenzamide
CID 5390617
3-methoxy-N-[1-(4-methoxyphenyl)propyl]-4-prop-2-enoxybenzamide
CID 24547727
N-(3-amino-2-methylpropyl)-3-methoxy-4-prop-2-enoxybenzamide;hydrochloride
CID 119998177
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-methoxy-4-prop-2-enoxybenzamide;hydrochloride
CID 119526888
3-methoxy-N-(4-methylphenyl)-4-prop-2-enoxybenzamide
CID 27284512

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(1-methoxypropan-2-yl)-4-prop-2-enoxybenzamide?
The IUPAC name of 3-methoxy-N-(1-methoxypropan-2-yl)-4-prop-2-enoxybenzamide (CID 18161158) is 3-methoxy-N-(1-methoxypropan-2-yl)-4-prop-2-enoxybenzamide.
What is the SMILES notation for 3-methoxy-N-(1-methoxypropan-2-yl)-4-prop-2-enoxybenzamide?
The canonical SMILES for 3-methoxy-N-(1-methoxypropan-2-yl)-4-prop-2-enoxybenzamide is C=CCOc1ccc(C(=O)NC(C)COC)cc1OC.
What is the InChIKey of 3-methoxy-N-(1-methoxypropan-2-yl)-4-prop-2-enoxybenzamide?
The InChIKey is NNJGDYNMYHFNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-5-8-20-13-7-6-12(9-14(13)19-4)15(17)16-11(2)10-18-3/h5-7,9,11H,1,8,10H2,2-4H3,(H,16,17).
What are the key properties of 3-methoxy-N-(1-methoxypropan-2-yl)-4-prop-2-enoxybenzamide?
3-methoxy-N-(1-methoxypropan-2-yl)-4-prop-2-enoxybenzamide has a molecular weight of 279.34 g/mol, XLogP of 2.02, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(1-methoxypropan-2-yl)-4-prop-2-enoxybenzamide is sourced from PubChem (CID 18161158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).