3-bromo-N-ethyl-5-methoxy-N-(2-methylprop-2-enyl)-4-propoxybenzamide

C17H24BrNO3 — CID 78800180

IUPAC3-bromo-N-ethyl-5-methoxy-N-(2-methylprop-2-enyl)-4-propoxybenzamide
SMILESC=C(C)CN(CC)C(=O)c1cc(Br)c(OCCC)c(OC)c1
InChIInChI=1S/C17H24BrNO3/c1-6-8-22-16-14(18)9-13(10-15(16)21-5)17(20)19(7-2)11-12(3)4/h9-10H,3,6-8,11H2,1-2,4-5H3
InChIKeyVXNMGMSSZZTIFN-UHFFFAOYSA-N
MW370.29 g/mol
LogP4.28
Rot. Bonds8

About 3-bromo-N-ethyl-5-methoxy-N-(2-methylprop-2-enyl)-4-propoxybenzamide

3-bromo-N-ethyl-5-methoxy-N-(2-methylprop-2-enyl)-4-propoxybenzamide (PubChem CID 78800180) has the molecular formula C17H24BrNO3 and a molecular weight of 370.29 g/mol. Its IUPAC name is 3-bromo-N-ethyl-5-methoxy-N-(2-methylprop-2-enyl)-4-propoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-ethyl-5-methoxy-N-(2-methylprop-2-enyl)-4-propoxybenzamide
PubChem CID78800180
Molecular FormulaC17H24BrNO3
Molecular Weight370.29 g/mol
Exact Mass369.09
IUPAC Name3-bromo-N-ethyl-5-methoxy-N-(2-methylprop-2-enyl)-4-propoxybenzamide
SMILESC=C(C)CN(CC)C(=O)c1cc(Br)c(OCCC)c(OC)c1
InChIInChI=1S/C17H24BrNO3/c1-6-8-22-16-14(18)9-13(10-15(16)21-5)17(20)19(7-2)11-12(3)4/h9-10H,3,6-8,11H2,1-2,4-5H3
InChIKeyVXNMGMSSZZTIFN-UHFFFAOYSA-N
XLogP4.28
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.29
LogP ≤ 54.28
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-bromo-5-methoxy-4-propoxybenzoic acid
CID 2414285
2-[(3-bromo-5-methoxy-4-propoxybenzoyl)-cyclopropylamino]acetic acid
CID 119194756
3-bromo-N-(3,5-dimethylphenyl)-5-methoxy-N-methyl-4-propoxybenzamide
CID 55918241
3-bromo-N,5-dimethoxy-4-propoxybenzamide
CID 51279320
3-bromo-N-butyl-5-methoxy-4-propoxybenzamide
CID 18106222
3-bromo-4-ethoxy-5-methoxy-N,N-bis(prop-2-enyl)benzamide
CID 94143951
3-bromo-5-methoxy-N-methyl-N-(2-phenoxyethyl)-4-propoxybenzamide
CID 55344036
3-bromo-4-ethoxy-5-methoxy-N,N-dimethylbenzamide
CID 78784050
3-bromo-5-methoxy-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4-propoxybenzamide
CID 31177545
3-bromo-5-methoxy-N-(2-methylbutan-2-yl)-4-propoxybenzamide
CID 42989597
3-bromo-N-ethyl-4-methoxy-N-propylbenzamide
CID 60738275
3-bromo-5-methoxy-N-phenyl-4-propoxybenzamide
CID 3931758

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-ethyl-5-methoxy-N-(2-methylprop-2-enyl)-4-propoxybenzamide?
The IUPAC name of 3-bromo-N-ethyl-5-methoxy-N-(2-methylprop-2-enyl)-4-propoxybenzamide (CID 78800180) is 3-bromo-N-ethyl-5-methoxy-N-(2-methylprop-2-enyl)-4-propoxybenzamide.
What is the SMILES notation for 3-bromo-N-ethyl-5-methoxy-N-(2-methylprop-2-enyl)-4-propoxybenzamide?
The canonical SMILES for 3-bromo-N-ethyl-5-methoxy-N-(2-methylprop-2-enyl)-4-propoxybenzamide is C=C(C)CN(CC)C(=O)c1cc(Br)c(OCCC)c(OC)c1.
What is the InChIKey of 3-bromo-N-ethyl-5-methoxy-N-(2-methylprop-2-enyl)-4-propoxybenzamide?
The InChIKey is VXNMGMSSZZTIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNO3/c1-6-8-22-16-14(18)9-13(10-15(16)21-5)17(20)19(7-2)11-12(3)4/h9-10H,3,6-8,11H2,1-2,4-5H3.
What are the key properties of 3-bromo-N-ethyl-5-methoxy-N-(2-methylprop-2-enyl)-4-propoxybenzamide?
3-bromo-N-ethyl-5-methoxy-N-(2-methylprop-2-enyl)-4-propoxybenzamide has a molecular weight of 370.29 g/mol, XLogP of 4.28, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-ethyl-5-methoxy-N-(2-methylprop-2-enyl)-4-propoxybenzamide is sourced from PubChem (CID 78800180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).