3-methoxy-4-propan-2-yloxy-N,N-bis(prop-2-enyl)benzamide

C17H23NO3 — CID 78784416

IUPAC3-methoxy-4-propan-2-yloxy-N,N-bis(prop-2-enyl)benzamide
SMILESC=CCN(CC=C)C(=O)c1ccc(OC(C)C)c(OC)c1
InChIInChI=1S/C17H23NO3/c1-6-10-18(11-7-2)17(19)14-8-9-15(21-13(3)4)16(12-14)20-5/h6-9,12-13H,1-2,10-11H2,3-5H3
InChIKeyNXXHXOXIORDLNZ-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.30
Rot. Bonds8

About 3-methoxy-4-propan-2-yloxy-N,N-bis(prop-2-enyl)benzamide

3-methoxy-4-propan-2-yloxy-N,N-bis(prop-2-enyl)benzamide (PubChem CID 78784416) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-methoxy-4-propan-2-yloxy-N,N-bis(prop-2-enyl)benzamide.

Molecular Properties

Compound Name3-methoxy-4-propan-2-yloxy-N,N-bis(prop-2-enyl)benzamide
PubChem CID78784416
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name3-methoxy-4-propan-2-yloxy-N,N-bis(prop-2-enyl)benzamide
SMILESC=CCN(CC=C)C(=O)c1ccc(OC(C)C)c(OC)c1
InChIInChI=1S/C17H23NO3/c1-6-10-18(11-7-2)17(19)14-8-9-15(21-13(3)4)16(12-14)20-5/h6-9,12-13H,1-2,10-11H2,3-5H3
InChIKeyNXXHXOXIORDLNZ-UHFFFAOYSA-N
XLogP3.30
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,4-dimethoxy-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)benzamide
CID 51094556
2-[(4-ethoxy-3-methoxybenzoyl)-prop-2-enylamino]acetic acid
CID 79264534
N-benzyl-3-methoxy-4-(2-methylpropoxy)-N-prop-2-enylbenzamide
CID 112819847
3-bromo-4-(2-methylpropoxy)-N,N-bis(prop-2-enyl)benzamide
CID 17351650
4-ethoxy-3-methoxy-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)benzamide
CID 51094536
4-(1-acetylpiperidin-4-yl)oxy-3-methoxy-N,N-bis(prop-2-enyl)benzamide
CID 23723924
3-hydroxy-4-methoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzamide
CID 103339075
N-(2-hydroxyethyl)-3-methoxy-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-propan-2-yloxybenzamide
CID 135120142
2-methoxy-N,N-bis(prop-2-enyl)pyridine-4-carboxamide
CID 84580497
ethyl 2-[(4-fluoro-3-methoxybenzoyl)-prop-2-enylamino]acetate
CID 81013907
N,N-diethyl-3-methyl-4-propan-2-yloxybenzamide
CID 110762336
N-ethyl-3-methoxy-4-nitro-N-prop-2-enylbenzamide
CID 84558856

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-propan-2-yloxy-N,N-bis(prop-2-enyl)benzamide?
The IUPAC name of 3-methoxy-4-propan-2-yloxy-N,N-bis(prop-2-enyl)benzamide (CID 78784416) is 3-methoxy-4-propan-2-yloxy-N,N-bis(prop-2-enyl)benzamide.
What is the SMILES notation for 3-methoxy-4-propan-2-yloxy-N,N-bis(prop-2-enyl)benzamide?
The canonical SMILES for 3-methoxy-4-propan-2-yloxy-N,N-bis(prop-2-enyl)benzamide is C=CCN(CC=C)C(=O)c1ccc(OC(C)C)c(OC)c1.
What is the InChIKey of 3-methoxy-4-propan-2-yloxy-N,N-bis(prop-2-enyl)benzamide?
The InChIKey is NXXHXOXIORDLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-6-10-18(11-7-2)17(19)14-8-9-15(21-13(3)4)16(12-14)20-5/h6-9,12-13H,1-2,10-11H2,3-5H3.
What are the key properties of 3-methoxy-4-propan-2-yloxy-N,N-bis(prop-2-enyl)benzamide?
3-methoxy-4-propan-2-yloxy-N,N-bis(prop-2-enyl)benzamide has a molecular weight of 289.38 g/mol, XLogP of 3.30, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-propan-2-yloxy-N,N-bis(prop-2-enyl)benzamide is sourced from PubChem (CID 78784416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).